USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) 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= -0.105 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 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 110:sc= -0.647 USER MOD Single : A 23 SER OG : rot 180:sc= -0.013 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= 0.0132 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.193 0.111 -0.785 1.00 43.13 N ATOM 2 CA GLU A 1 2.044 0.207 -1.965 1.00 65.33 C ATOM 3 C GLU A 1 3.473 -0.223 -1.642 1.00 52.41 C ATOM 4 O GLU A 1 4.084 0.275 -0.696 1.00 33.02 O ATOM 5 CB GLU A 1 2.041 1.637 -2.510 1.00 31.34 C ATOM 6 CG GLU A 1 2.332 1.722 -3.999 1.00 33.04 C ATOM 7 CD GLU A 1 1.117 1.404 -4.849 1.00 65.43 C ATOM 8 OE1 GLU A 1 0.014 1.264 -4.281 1.00 64.22 O ATOM 9 OE2 GLU A 1 1.271 1.294 -6.084 1.00 1.51 O ATOM 0 H1 GLU A 1 0.227 0.408 -1.029 1.00 43.13 H new ATOM 0 H2 GLU A 1 1.178 -0.872 -0.447 1.00 43.13 H new ATOM 0 H3 GLU A 1 1.567 0.729 -0.036 1.00 43.13 H new ATOM 0 HA GLU A 1 1.644 -0.464 -2.725 1.00 65.33 H new ATOM 0 HB2 GLU A 1 1.070 2.090 -2.312 1.00 31.34 H new ATOM 0 HB3 GLU A 1 2.783 2.224 -1.969 1.00 31.34 H new ATOM 0 HG2 GLU A 1 2.687 2.724 -4.240 1.00 33.04 H new ATOM 0 HG3 GLU A 1 3.137 1.030 -4.248 1.00 33.04 H new ATOM 16 N CYS A 2 3.999 -1.150 -2.435 1.00 21.12 N ATOM 17 CA CYS A 2 5.354 -1.649 -2.234 1.00 44.53 C ATOM 18 C CYS A 2 6.374 -0.743 -2.919 1.00 51.12 C ATOM 19 O CYS A 2 6.077 -0.113 -3.934 1.00 54.40 O ATOM 20 CB CYS A 2 5.480 -3.075 -2.772 1.00 64.24 C ATOM 21 SG CYS A 2 4.140 -4.190 -2.245 1.00 13.02 S ATOM 0 H CYS A 2 3.507 -1.571 -3.223 1.00 21.12 H new ATOM 0 HA CYS A 2 5.558 -1.653 -1.163 1.00 44.53 H new ATOM 0 HB2 CYS A 2 5.502 -3.040 -3.861 1.00 64.24 H new ATOM 0 HB3 CYS A 2 6.433 -3.491 -2.447 1.00 64.24 H new ATOM 26 N ARG A 3 7.577 -0.684 -2.357 1.00 33.01 N ATOM 27 CA ARG A 3 8.640 0.145 -2.912 1.00 71.43 C ATOM 28 C ARG A 3 9.948 -0.636 -2.999 1.00 3.21 C ATOM 29 O ARG A 3 10.045 -1.762 -2.510 1.00 10.31 O ATOM 30 CB ARG A 3 8.837 1.398 -2.058 1.00 42.54 C ATOM 31 CG ARG A 3 7.536 2.083 -1.672 1.00 23.12 C ATOM 32 CD ARG A 3 7.565 3.566 -2.009 1.00 24.54 C ATOM 33 NE ARG A 3 6.341 4.245 -1.593 1.00 43.33 N ATOM 34 CZ ARG A 3 5.939 5.407 -2.096 1.00 41.20 C ATOM 35 NH1 ARG A 3 6.660 6.015 -3.028 1.00 0.10 N ATOM 36 NH2 ARG A 3 4.813 5.963 -1.667 1.00 3.01 N ATOM 0 H ARG A 3 7.840 -1.201 -1.518 1.00 33.01 H new ATOM 0 HA ARG A 3 8.347 0.443 -3.919 1.00 71.43 H new ATOM 0 HB2 ARG A 3 9.378 1.128 -1.151 1.00 42.54 H new ATOM 0 HB3 ARG A 3 9.462 2.105 -2.604 1.00 42.54 H new ATOM 0 HG2 ARG A 3 6.705 1.607 -2.192 1.00 23.12 H new ATOM 0 HG3 ARG A 3 7.359 1.955 -0.604 1.00 23.12 H new ATOM 0 HD2 ARG A 3 8.422 4.032 -1.522 1.00 24.54 H new ATOM 0 HD3 ARG A 3 7.702 3.691 -3.083 1.00 24.54 H new ATOM 0 HE ARG A 3 5.764 3.803 -0.878 1.00 43.33 H new ATOM 0 HH11 ARG A 3 7.526 5.591 -3.361 1.00 0.10 H new ATOM 0 HH12 ARG A 3 6.349 6.907 -3.412 1.00 0.10 H new ATOM 0 HH21 ARG A 3 4.255 5.498 -0.950 1.00 3.01 H new ATOM 0 HH22 ARG A 3 4.505 6.855 -2.054 1.00 3.01 H new ATOM 50 N TYR A 4 10.952 -0.030 -3.624 1.00 73.54 N ATOM 51 CA TYR A 4 12.253 -0.669 -3.778 1.00 22.41 C ATOM 52 C TYR A 4 13.159 -0.352 -2.592 1.00 43.12 C ATOM 53 O TYR A 4 12.740 0.292 -1.630 1.00 34.04 O ATOM 54 CB TYR A 4 12.918 -0.214 -5.078 1.00 70.42 C ATOM 55 CG TYR A 4 12.618 1.222 -5.441 1.00 40.51 C ATOM 56 CD1 TYR A 4 13.358 2.266 -4.897 1.00 74.42 C ATOM 57 CD2 TYR A 4 11.595 1.537 -6.327 1.00 12.24 C ATOM 58 CE1 TYR A 4 13.087 3.580 -5.225 1.00 52.01 C ATOM 59 CE2 TYR A 4 11.318 2.848 -6.661 1.00 50.54 C ATOM 60 CZ TYR A 4 12.066 3.866 -6.108 1.00 5.31 C ATOM 61 OH TYR A 4 11.793 5.174 -6.438 1.00 31.12 O ATOM 0 H TYR A 4 10.889 0.903 -4.032 1.00 73.54 H new ATOM 0 HA TYR A 4 12.098 -1.747 -3.816 1.00 22.41 H new ATOM 0 HB2 TYR A 4 13.997 -0.339 -4.987 1.00 70.42 H new ATOM 0 HB3 TYR A 4 12.589 -0.862 -5.891 1.00 70.42 H new ATOM 0 HD1 TYR A 4 14.158 2.046 -4.206 1.00 74.42 H new ATOM 0 HD2 TYR A 4 11.006 0.743 -6.762 1.00 12.24 H new ATOM 0 HE1 TYR A 4 13.671 4.379 -4.793 1.00 52.01 H new ATOM 0 HE2 TYR A 4 10.520 3.075 -7.352 1.00 50.54 H new ATOM 0 HH TYR A 4 11.046 5.202 -7.072 1.00 31.12 H new ATOM 71 N LEU A 5 14.405 -0.808 -2.669 1.00 53.43 N ATOM 72 CA LEU A 5 15.373 -0.572 -1.604 1.00 32.54 C ATOM 73 C LEU A 5 15.446 0.910 -1.252 1.00 30.13 C ATOM 74 O LEU A 5 15.378 1.285 -0.081 1.00 74.11 O ATOM 75 CB LEU A 5 16.755 -1.078 -2.022 1.00 55.23 C ATOM 76 CG LEU A 5 17.810 -1.137 -0.918 1.00 24.51 C ATOM 77 CD1 LEU A 5 18.892 -2.147 -1.268 1.00 24.21 C ATOM 78 CD2 LEU A 5 18.417 0.238 -0.686 1.00 4.55 C ATOM 0 H LEU A 5 14.768 -1.343 -3.458 1.00 53.43 H new ATOM 0 HA LEU A 5 15.044 -1.120 -0.721 1.00 32.54 H new ATOM 0 HB2 LEU A 5 16.642 -2.077 -2.443 1.00 55.23 H new ATOM 0 HB3 LEU A 5 17.129 -0.436 -2.820 1.00 55.23 H new ATOM 0 HG LEU A 5 17.326 -1.458 0.004 1.00 24.51 H new ATOM 0 HD11 LEU A 5 19.635 -2.176 -0.471 1.00 24.21 H new ATOM 0 HD12 LEU A 5 18.445 -3.134 -1.383 1.00 24.21 H new ATOM 0 HD13 LEU A 5 19.373 -1.856 -2.202 1.00 24.21 H new ATOM 0 HD21 LEU A 5 19.166 0.177 0.103 1.00 4.55 H new ATOM 0 HD22 LEU A 5 18.887 0.588 -1.605 1.00 4.55 H new ATOM 0 HD23 LEU A 5 17.634 0.936 -0.390 1.00 4.55 H new ATOM 90 N PHE A 6 15.583 1.749 -2.273 1.00 3.00 N ATOM 91 CA PHE A 6 15.664 3.191 -2.072 1.00 4.10 C ATOM 92 C PHE A 6 14.281 3.784 -1.823 1.00 53.22 C ATOM 93 O PHE A 6 14.144 4.975 -1.546 1.00 42.12 O ATOM 94 CB PHE A 6 16.308 3.861 -3.288 1.00 11.55 C ATOM 95 CG PHE A 6 17.626 3.257 -3.678 1.00 22.42 C ATOM 96 CD1 PHE A 6 18.649 3.135 -2.751 1.00 41.21 C ATOM 97 CD2 PHE A 6 17.842 2.809 -4.971 1.00 62.30 C ATOM 98 CE1 PHE A 6 19.863 2.580 -3.108 1.00 63.30 C ATOM 99 CE2 PHE A 6 19.054 2.252 -5.334 1.00 22.14 C ATOM 100 CZ PHE A 6 20.066 2.136 -4.400 1.00 53.44 C ATOM 0 H PHE A 6 15.640 1.455 -3.248 1.00 3.00 H new ATOM 0 HA PHE A 6 16.282 3.376 -1.194 1.00 4.10 H new ATOM 0 HB2 PHE A 6 15.623 3.796 -4.134 1.00 11.55 H new ATOM 0 HB3 PHE A 6 16.452 4.920 -3.075 1.00 11.55 H new ATOM 0 HD1 PHE A 6 18.496 3.478 -1.738 1.00 41.21 H new ATOM 0 HD2 PHE A 6 17.054 2.896 -5.704 1.00 62.30 H new ATOM 0 HE1 PHE A 6 20.653 2.493 -2.377 1.00 63.30 H new ATOM 0 HE2 PHE A 6 19.210 1.908 -6.346 1.00 22.14 H new ATOM 0 HZ PHE A 6 21.013 1.699 -4.680 1.00 53.44 H new ATOM 110 N GLY A 7 13.256 2.943 -1.925 1.00 13.21 N ATOM 111 CA GLY A 7 11.896 3.402 -1.709 1.00 32.41 C ATOM 112 C GLY A 7 11.718 4.074 -0.362 1.00 75.21 C ATOM 113 O GLY A 7 11.510 5.284 -0.287 1.00 42.21 O ATOM 0 H GLY A 7 13.343 1.953 -2.153 1.00 13.21 H new ATOM 0 HA2 GLY A 7 11.622 4.101 -2.499 1.00 32.41 H new ATOM 0 HA3 GLY A 7 11.214 2.555 -1.782 1.00 32.41 H new ATOM 117 N GLY A 8 11.797 3.286 0.706 1.00 13.02 N ATOM 118 CA GLY A 8 11.638 3.830 2.042 1.00 24.23 C ATOM 119 C GLY A 8 10.320 3.433 2.677 1.00 3.52 C ATOM 120 O GLY A 8 9.260 3.580 2.068 1.00 63.41 O ATOM 0 H GLY A 8 11.968 2.281 0.670 1.00 13.02 H new ATOM 0 HA2 GLY A 8 12.459 3.486 2.671 1.00 24.23 H new ATOM 0 HA3 GLY A 8 11.704 4.917 1.998 1.00 24.23 H new ATOM 124 N CYS A 9 10.385 2.929 3.905 1.00 72.33 N ATOM 125 CA CYS A 9 9.188 2.507 4.623 1.00 51.43 C ATOM 126 C CYS A 9 9.428 2.511 6.130 1.00 63.44 C ATOM 127 O CYS A 9 10.519 2.842 6.594 1.00 11.40 O ATOM 128 CB CYS A 9 8.759 1.111 4.166 1.00 10.55 C ATOM 129 SG CYS A 9 10.133 -0.074 4.010 1.00 71.51 S ATOM 0 H CYS A 9 11.254 2.803 4.424 1.00 72.33 H new ATOM 0 HA CYS A 9 8.391 3.216 4.398 1.00 51.43 H new ATOM 0 HB2 CYS A 9 8.031 0.716 4.875 1.00 10.55 H new ATOM 0 HB3 CYS A 9 8.254 1.194 3.204 1.00 10.55 H new ATOM 134 N SER A 10 8.402 2.139 6.888 1.00 72.53 N ATOM 135 CA SER A 10 8.500 2.102 8.342 1.00 34.42 C ATOM 136 C SER A 10 8.480 0.664 8.852 1.00 74.33 C ATOM 137 O SER A 10 8.970 0.373 9.943 1.00 54.21 O ATOM 138 CB SER A 10 7.352 2.894 8.972 1.00 61.22 C ATOM 139 OG SER A 10 6.193 2.090 9.110 1.00 40.24 O ATOM 0 H SER A 10 7.493 1.859 6.519 1.00 72.53 H new ATOM 0 HA SER A 10 9.448 2.558 8.629 1.00 34.42 H new ATOM 0 HB2 SER A 10 7.657 3.268 9.949 1.00 61.22 H new ATOM 0 HB3 SER A 10 7.124 3.763 8.355 1.00 61.22 H new ATOM 0 HG SER A 10 5.475 2.619 9.516 1.00 40.24 H new ATOM 145 N SER A 11 7.909 -0.233 8.053 1.00 40.40 N ATOM 146 CA SER A 11 7.821 -1.640 8.423 1.00 31.24 C ATOM 147 C SER A 11 8.261 -2.535 7.268 1.00 12.53 C ATOM 148 O SER A 11 8.341 -2.094 6.121 1.00 2.31 O ATOM 149 CB SER A 11 6.391 -1.991 8.839 1.00 20.42 C ATOM 150 OG SER A 11 6.301 -3.339 9.267 1.00 72.43 O ATOM 0 H SER A 11 7.501 -0.009 7.145 1.00 40.40 H new ATOM 0 HA SER A 11 8.490 -1.811 9.267 1.00 31.24 H new ATOM 0 HB2 SER A 11 6.070 -1.329 9.643 1.00 20.42 H new ATOM 0 HB3 SER A 11 5.714 -1.826 8.001 1.00 20.42 H new ATOM 0 HG SER A 11 5.378 -3.538 9.529 1.00 72.43 H new ATOM 156 N THR A 12 8.545 -3.795 7.579 1.00 23.44 N ATOM 157 CA THR A 12 8.978 -4.753 6.569 1.00 4.24 C ATOM 158 C THR A 12 7.830 -5.131 5.642 1.00 55.45 C ATOM 159 O THR A 12 8.049 -5.559 4.509 1.00 42.14 O ATOM 160 CB THR A 12 9.545 -6.032 7.214 1.00 35.02 C ATOM 161 OG1 THR A 12 8.511 -6.719 7.929 1.00 3.21 O ATOM 162 CG2 THR A 12 10.689 -5.700 8.160 1.00 34.44 C ATOM 0 H THR A 12 8.483 -4.177 8.523 1.00 23.44 H new ATOM 0 HA THR A 12 9.764 -4.268 5.990 1.00 4.24 H new ATOM 0 HB THR A 12 9.927 -6.675 6.421 1.00 35.02 H new ATOM 0 HG1 THR A 12 8.878 -7.532 8.335 1.00 3.21 H new ATOM 0 HG21 THR A 12 11.073 -6.619 8.603 1.00 34.44 H new ATOM 0 HG22 THR A 12 11.486 -5.203 7.607 1.00 34.44 H new ATOM 0 HG23 THR A 12 10.329 -5.040 8.949 1.00 34.44 H new ATOM 170 N SER A 13 6.604 -4.969 6.129 1.00 55.41 N ATOM 171 CA SER A 13 5.419 -5.296 5.343 1.00 23.05 C ATOM 172 C SER A 13 5.395 -4.502 4.041 1.00 14.31 C ATOM 173 O SER A 13 4.760 -4.906 3.066 1.00 24.24 O ATOM 174 CB SER A 13 4.151 -5.012 6.151 1.00 23.52 C ATOM 175 OG SER A 13 3.909 -3.620 6.247 1.00 14.31 O ATOM 0 H SER A 13 6.405 -4.613 7.064 1.00 55.41 H new ATOM 0 HA SER A 13 5.456 -6.358 5.100 1.00 23.05 H new ATOM 0 HB2 SER A 13 3.298 -5.501 5.680 1.00 23.52 H new ATOM 0 HB3 SER A 13 4.250 -5.437 7.150 1.00 23.52 H new ATOM 0 HG SER A 13 3.093 -3.465 6.766 1.00 14.31 H new ATOM 181 N ASP A 14 6.089 -3.369 4.033 1.00 21.40 N ATOM 182 CA ASP A 14 6.149 -2.517 2.851 1.00 32.40 C ATOM 183 C ASP A 14 7.010 -3.154 1.765 1.00 62.30 C ATOM 184 O ASP A 14 6.679 -3.096 0.580 1.00 14.55 O ATOM 185 CB ASP A 14 6.703 -1.140 3.217 1.00 43.34 C ATOM 186 CG ASP A 14 5.646 -0.228 3.807 1.00 54.11 C ATOM 187 OD1 ASP A 14 4.758 0.217 3.050 1.00 14.45 O ATOM 188 OD2 ASP A 14 5.706 0.041 5.025 1.00 4.21 O ATOM 0 H ASP A 14 6.618 -3.019 4.832 1.00 21.40 H new ATOM 0 HA ASP A 14 5.136 -2.401 2.465 1.00 32.40 H new ATOM 0 HB2 ASP A 14 7.517 -1.258 3.932 1.00 43.34 H new ATOM 0 HB3 ASP A 14 7.125 -0.673 2.327 1.00 43.34 H new ATOM 193 N CYS A 15 8.118 -3.762 2.176 1.00 1.11 N ATOM 194 CA CYS A 15 9.029 -4.409 1.239 1.00 12.33 C ATOM 195 C CYS A 15 8.374 -5.629 0.598 1.00 14.32 C ATOM 196 O CYS A 15 8.033 -6.595 1.281 1.00 14.02 O ATOM 197 CB CYS A 15 10.317 -4.824 1.952 1.00 2.33 C ATOM 198 SG CYS A 15 11.271 -3.430 2.636 1.00 34.11 S ATOM 0 H CYS A 15 8.407 -3.820 3.153 1.00 1.11 H new ATOM 0 HA CYS A 15 9.271 -3.693 0.453 1.00 12.33 H new ATOM 0 HB2 CYS A 15 10.067 -5.511 2.761 1.00 2.33 H new ATOM 0 HB3 CYS A 15 10.947 -5.372 1.252 1.00 2.33 H new ATOM 203 N CYS A 16 8.201 -5.577 -0.718 1.00 71.23 N ATOM 204 CA CYS A 16 7.587 -6.677 -1.453 1.00 51.51 C ATOM 205 C CYS A 16 8.555 -7.249 -2.485 1.00 54.51 C ATOM 206 O CYS A 16 8.306 -8.304 -3.069 1.00 14.42 O ATOM 207 CB CYS A 16 6.307 -6.203 -2.145 1.00 62.21 C ATOM 208 SG CYS A 16 5.067 -5.498 -1.013 1.00 34.34 S ATOM 0 H CYS A 16 8.477 -4.785 -1.298 1.00 71.23 H new ATOM 0 HA CYS A 16 7.337 -7.463 -0.741 1.00 51.51 H new ATOM 0 HB2 CYS A 16 6.567 -5.454 -2.893 1.00 62.21 H new ATOM 0 HB3 CYS A 16 5.861 -7.044 -2.677 1.00 62.21 H new ATOM 213 N LYS A 17 9.660 -6.545 -2.705 1.00 40.11 N ATOM 214 CA LYS A 17 10.667 -6.981 -3.665 1.00 22.42 C ATOM 215 C LYS A 17 11.768 -7.779 -2.973 1.00 44.21 C ATOM 216 O LYS A 17 12.945 -7.658 -3.316 1.00 10.22 O ATOM 217 CB LYS A 17 11.272 -5.774 -4.385 1.00 25.23 C ATOM 218 CG LYS A 17 10.419 -5.259 -5.531 1.00 3.12 C ATOM 219 CD LYS A 17 10.574 -6.121 -6.773 1.00 10.14 C ATOM 220 CE LYS A 17 9.603 -5.703 -7.866 1.00 10.50 C ATOM 221 NZ LYS A 17 10.054 -6.156 -9.211 1.00 54.51 N ATOM 0 H LYS A 17 9.881 -5.669 -2.231 1.00 40.11 H new ATOM 0 HA LYS A 17 10.180 -7.626 -4.397 1.00 22.42 H new ATOM 0 HB2 LYS A 17 11.422 -4.970 -3.665 1.00 25.23 H new ATOM 0 HB3 LYS A 17 12.255 -6.046 -4.769 1.00 25.23 H new ATOM 0 HG2 LYS A 17 9.372 -5.242 -5.227 1.00 3.12 H new ATOM 0 HG3 LYS A 17 10.701 -4.232 -5.762 1.00 3.12 H new ATOM 0 HD2 LYS A 17 11.596 -6.045 -7.144 1.00 10.14 H new ATOM 0 HD3 LYS A 17 10.405 -7.166 -6.515 1.00 10.14 H new ATOM 0 HE2 LYS A 17 8.618 -6.118 -7.655 1.00 10.50 H new ATOM 0 HE3 LYS A 17 9.499 -4.618 -7.864 1.00 10.50 H new ATOM 0 HZ1 LYS A 17 9.366 -5.852 -9.929 1.00 54.51 H new ATOM 0 HZ2 LYS A 17 10.983 -5.740 -9.424 1.00 54.51 H new ATOM 0 HZ3 LYS A 17 10.129 -7.193 -9.221 1.00 54.51 H new ATOM 235 N HIS A 18 11.379 -8.595 -1.999 1.00 10.02 N ATOM 236 CA HIS A 18 12.334 -9.414 -1.260 1.00 74.14 C ATOM 237 C HIS A 18 13.306 -8.540 -0.475 1.00 3.21 C ATOM 238 O HIS A 18 14.446 -8.933 -0.223 1.00 2.13 O ATOM 239 CB HIS A 18 13.105 -10.323 -2.218 1.00 23.05 C ATOM 240 CG HIS A 18 13.023 -11.775 -1.861 1.00 61.54 C ATOM 241 ND1 HIS A 18 14.128 -12.535 -1.538 1.00 12.30 N ATOM 242 CD2 HIS A 18 11.959 -12.607 -1.777 1.00 72.52 C ATOM 243 CE1 HIS A 18 13.747 -13.771 -1.272 1.00 32.40 C ATOM 244 NE2 HIS A 18 12.435 -13.842 -1.410 1.00 0.15 N ATOM 0 H HIS A 18 10.409 -8.707 -1.703 1.00 10.02 H new ATOM 0 HA HIS A 18 11.778 -10.031 -0.554 1.00 74.14 H new ATOM 0 HB2 HIS A 18 12.720 -10.183 -3.228 1.00 23.05 H new ATOM 0 HB3 HIS A 18 14.152 -10.019 -2.231 1.00 23.05 H new ATOM 0 HD2 HIS A 18 10.927 -12.348 -1.964 1.00 72.52 H new ATOM 0 HE1 HIS A 18 14.397 -14.586 -0.990 1.00 32.40 H new ATOM 0 HE2 HIS A 18 11.868 -14.678 -1.267 1.00 0.15 H new ATOM 252 N LEU A 19 12.850 -7.353 -0.091 1.00 52.33 N ATOM 253 CA LEU A 19 13.680 -6.422 0.665 1.00 11.22 C ATOM 254 C LEU A 19 13.299 -6.430 2.142 1.00 5.24 C ATOM 255 O LEU A 19 12.234 -6.919 2.517 1.00 72.15 O ATOM 256 CB LEU A 19 13.541 -5.008 0.099 1.00 50.42 C ATOM 257 CG LEU A 19 13.969 -4.823 -1.358 1.00 1.15 C ATOM 258 CD1 LEU A 19 13.063 -3.822 -2.057 1.00 71.04 C ATOM 259 CD2 LEU A 19 15.421 -4.375 -1.434 1.00 3.43 C ATOM 0 H LEU A 19 11.910 -7.012 -0.291 1.00 52.33 H new ATOM 0 HA LEU A 19 14.718 -6.743 0.574 1.00 11.22 H new ATOM 0 HB2 LEU A 19 12.499 -4.702 0.192 1.00 50.42 H new ATOM 0 HB3 LEU A 19 14.129 -4.331 0.718 1.00 50.42 H new ATOM 0 HG LEU A 19 13.878 -5.782 -1.868 1.00 1.15 H new ATOM 0 HD11 LEU A 19 13.383 -3.703 -3.092 1.00 71.04 H new ATOM 0 HD12 LEU A 19 12.035 -4.184 -2.034 1.00 71.04 H new ATOM 0 HD13 LEU A 19 13.121 -2.861 -1.547 1.00 71.04 H new ATOM 0 HD21 LEU A 19 15.709 -4.248 -2.478 1.00 3.43 H new ATOM 0 HD22 LEU A 19 15.537 -3.427 -0.908 1.00 3.43 H new ATOM 0 HD23 LEU A 19 16.059 -5.128 -0.971 1.00 3.43 H new ATOM 271 N SER A 20 14.177 -5.883 2.977 1.00 2.42 N ATOM 272 CA SER A 20 13.934 -5.828 4.414 1.00 63.10 C ATOM 273 C SER A 20 13.957 -4.387 4.914 1.00 13.04 C ATOM 274 O SER A 20 14.976 -3.702 4.826 1.00 25.42 O ATOM 275 CB SER A 20 14.982 -6.656 5.161 1.00 15.25 C ATOM 276 OG SER A 20 16.266 -6.068 5.056 1.00 4.55 O ATOM 0 H SER A 20 15.063 -5.472 2.683 1.00 2.42 H new ATOM 0 HA SER A 20 12.946 -6.245 4.607 1.00 63.10 H new ATOM 0 HB2 SER A 20 14.702 -6.741 6.211 1.00 15.25 H new ATOM 0 HB3 SER A 20 15.008 -7.667 4.755 1.00 15.25 H new ATOM 0 HG SER A 20 16.532 -5.706 5.927 1.00 4.55 H new ATOM 282 N CYS A 21 12.824 -3.932 5.440 1.00 22.31 N ATOM 283 CA CYS A 21 12.711 -2.573 5.955 1.00 60.01 C ATOM 284 C CYS A 21 13.351 -2.459 7.336 1.00 60.25 C ATOM 285 O CYS A 21 12.745 -2.822 8.344 1.00 51.12 O ATOM 286 CB CYS A 21 11.242 -2.153 6.026 1.00 54.34 C ATOM 287 SG CYS A 21 10.965 -0.370 5.776 1.00 45.54 S ATOM 0 H CYS A 21 11.971 -4.485 5.521 1.00 22.31 H new ATOM 0 HA CYS A 21 13.240 -1.908 5.273 1.00 60.01 H new ATOM 0 HB2 CYS A 21 10.680 -2.706 5.273 1.00 54.34 H new ATOM 0 HB3 CYS A 21 10.840 -2.439 6.998 1.00 54.34 H new ATOM 292 N ARG A 22 14.579 -1.953 7.372 1.00 2.23 N ATOM 293 CA ARG A 22 15.302 -1.792 8.628 1.00 10.12 C ATOM 294 C ARG A 22 14.812 -0.560 9.384 1.00 72.05 C ATOM 295 O ARG A 22 14.551 0.484 8.786 1.00 41.02 O ATOM 296 CB ARG A 22 16.805 -1.678 8.365 1.00 13.34 C ATOM 297 CG ARG A 22 17.390 -2.880 7.643 1.00 31.43 C ATOM 298 CD ARG A 22 18.909 -2.817 7.597 1.00 75.44 C ATOM 299 NE ARG A 22 19.513 -3.229 8.861 1.00 14.40 N ATOM 300 CZ ARG A 22 20.822 -3.355 9.043 1.00 3.21 C ATOM 301 NH1 ARG A 22 21.661 -3.103 8.047 1.00 13.44 N ATOM 302 NH2 ARG A 22 21.296 -3.734 10.223 1.00 11.43 N ATOM 0 H ARG A 22 15.094 -1.648 6.546 1.00 2.23 H new ATOM 0 HA ARG A 22 15.113 -2.673 9.242 1.00 10.12 H new ATOM 0 HB2 ARG A 22 16.995 -0.782 7.774 1.00 13.34 H new ATOM 0 HB3 ARG A 22 17.323 -1.548 9.315 1.00 13.34 H new ATOM 0 HG2 ARG A 22 17.078 -3.795 8.146 1.00 31.43 H new ATOM 0 HG3 ARG A 22 16.996 -2.924 6.628 1.00 31.43 H new ATOM 0 HD2 ARG A 22 19.274 -3.458 6.795 1.00 75.44 H new ATOM 0 HD3 ARG A 22 19.223 -1.800 7.360 1.00 75.44 H new ATOM 0 HE ARG A 22 18.895 -3.431 9.647 1.00 14.40 H new ATOM 0 HH11 ARG A 22 21.301 -2.812 7.138 1.00 13.44 H new ATOM 0 HH12 ARG A 22 22.666 -3.201 8.190 1.00 13.44 H new ATOM 0 HH21 ARG A 22 20.654 -3.929 10.992 1.00 11.43 H new ATOM 0 HH22 ARG A 22 22.302 -3.830 10.361 1.00 11.43 H new ATOM 316 N SER A 23 14.688 -0.690 10.701 1.00 63.04 N ATOM 317 CA SER A 23 14.225 0.411 11.537 1.00 22.23 C ATOM 318 C SER A 23 15.330 1.444 11.737 1.00 63.43 C ATOM 319 O SER A 23 15.073 2.570 12.162 1.00 60.00 O ATOM 320 CB SER A 23 13.753 -0.116 12.894 1.00 53.41 C ATOM 321 OG SER A 23 13.640 0.935 13.838 1.00 43.43 O ATOM 0 H SER A 23 14.902 -1.547 11.212 1.00 63.04 H new ATOM 0 HA SER A 23 13.389 0.893 11.030 1.00 22.23 H new ATOM 0 HB2 SER A 23 12.789 -0.612 12.780 1.00 53.41 H new ATOM 0 HB3 SER A 23 14.455 -0.865 13.261 1.00 53.41 H new ATOM 0 HG SER A 23 13.335 0.573 14.696 1.00 43.43 H new ATOM 327 N ASP A 24 16.561 1.051 11.426 1.00 11.25 N ATOM 328 CA ASP A 24 17.707 1.942 11.570 1.00 55.10 C ATOM 329 C ASP A 24 17.581 3.144 10.638 1.00 33.54 C ATOM 330 O ASP A 24 17.565 4.290 11.087 1.00 65.22 O ATOM 331 CB ASP A 24 19.005 1.189 11.278 1.00 22.43 C ATOM 332 CG ASP A 24 20.201 1.802 11.980 1.00 13.22 C ATOM 333 OD1 ASP A 24 20.185 3.028 12.218 1.00 15.33 O ATOM 334 OD2 ASP A 24 21.152 1.056 12.292 1.00 1.34 O ATOM 0 H ASP A 24 16.791 0.122 11.073 1.00 11.25 H new ATOM 0 HA ASP A 24 17.729 2.303 12.598 1.00 55.10 H new ATOM 0 HB2 ASP A 24 18.897 0.150 11.590 1.00 22.43 H new ATOM 0 HB3 ASP A 24 19.183 1.182 10.203 1.00 22.43 H new ATOM 339 N TRP A 25 17.492 2.873 9.341 1.00 30.23 N ATOM 340 CA TRP A 25 17.369 3.932 8.346 1.00 13.24 C ATOM 341 C TRP A 25 15.923 4.082 7.887 1.00 15.34 C ATOM 342 O TRP A 25 15.571 5.053 7.217 1.00 52.04 O ATOM 343 CB TRP A 25 18.270 3.640 7.146 1.00 61.22 C ATOM 344 CG TRP A 25 19.671 4.143 7.319 1.00 63.04 C ATOM 345 CD1 TRP A 25 20.577 3.740 8.259 1.00 54.45 C ATOM 346 CD2 TRP A 25 20.326 5.144 6.531 1.00 72.41 C ATOM 347 NE1 TRP A 25 21.755 4.431 8.103 1.00 75.44 N ATOM 348 CE2 TRP A 25 21.627 5.297 7.049 1.00 33.32 C ATOM 349 CE3 TRP A 25 19.940 5.923 5.437 1.00 5.42 C ATOM 350 CZ2 TRP A 25 22.541 6.198 6.511 1.00 53.53 C ATOM 351 CZ3 TRP A 25 20.849 6.818 4.904 1.00 13.12 C ATOM 352 CH2 TRP A 25 22.137 6.949 5.440 1.00 14.33 C ATOM 0 H TRP A 25 17.503 1.929 8.954 1.00 30.23 H new ATOM 0 HA TRP A 25 17.683 4.868 8.808 1.00 13.24 H new ATOM 0 HB2 TRP A 25 18.297 2.564 6.974 1.00 61.22 H new ATOM 0 HB3 TRP A 25 17.836 4.095 6.256 1.00 61.22 H new ATOM 0 HD1 TRP A 25 20.394 2.989 9.013 1.00 54.45 H new ATOM 0 HE1 TRP A 25 22.589 4.317 8.679 1.00 75.44 H new ATOM 0 HE3 TRP A 25 18.950 5.828 5.016 1.00 5.42 H new ATOM 0 HZ2 TRP A 25 23.534 6.301 6.924 1.00 53.53 H new ATOM 0 HZ3 TRP A 25 20.561 7.427 4.060 1.00 13.12 H new ATOM 0 HH2 TRP A 25 22.824 7.656 5.000 1.00 14.33 H new ATOM 363 N LYS A 26 15.087 3.116 8.253 1.00 60.13 N ATOM 364 CA LYS A 26 13.678 3.141 7.880 1.00 74.21 C ATOM 365 C LYS A 26 13.514 3.049 6.366 1.00 35.01 C ATOM 366 O LYS A 26 12.771 3.825 5.764 1.00 3.43 O ATOM 367 CB LYS A 26 13.014 4.418 8.399 1.00 41.52 C ATOM 368 CG LYS A 26 13.339 4.726 9.850 1.00 33.04 C ATOM 369 CD LYS A 26 12.525 5.901 10.367 1.00 31.41 C ATOM 370 CE LYS A 26 12.444 5.897 11.886 1.00 51.41 C ATOM 371 NZ LYS A 26 13.709 6.375 12.510 1.00 71.11 N ATOM 0 H LYS A 26 15.362 2.305 8.808 1.00 60.13 H new ATOM 0 HA LYS A 26 13.193 2.277 8.333 1.00 74.21 H new ATOM 0 HB2 LYS A 26 13.327 5.258 7.779 1.00 41.52 H new ATOM 0 HB3 LYS A 26 11.933 4.326 8.289 1.00 41.52 H new ATOM 0 HG2 LYS A 26 13.140 3.847 10.463 1.00 33.04 H new ATOM 0 HG3 LYS A 26 14.402 4.948 9.946 1.00 33.04 H new ATOM 0 HD2 LYS A 26 12.975 6.834 10.028 1.00 31.41 H new ATOM 0 HD3 LYS A 26 11.520 5.861 9.948 1.00 31.41 H new ATOM 0 HE2 LYS A 26 11.618 6.532 12.207 1.00 51.41 H new ATOM 0 HE3 LYS A 26 12.225 4.888 12.235 1.00 51.41 H new ATOM 0 HZ1 LYS A 26 13.614 6.357 13.545 1.00 71.11 H new ATOM 0 HZ2 LYS A 26 14.493 5.755 12.224 1.00 71.11 H new ATOM 0 HZ3 LYS A 26 13.905 7.347 12.197 1.00 71.11 H new ATOM 385 N TYR A 27 14.209 2.095 5.757 1.00 2.22 N ATOM 386 CA TYR A 27 14.141 1.903 4.313 1.00 30.25 C ATOM 387 C TYR A 27 14.425 0.450 3.943 1.00 12.25 C ATOM 388 O TYR A 27 15.171 -0.245 4.634 1.00 11.41 O ATOM 389 CB TYR A 27 15.137 2.825 3.607 1.00 33.54 C ATOM 390 CG TYR A 27 16.547 2.280 3.573 1.00 73.44 C ATOM 391 CD1 TYR A 27 17.175 1.848 4.734 1.00 11.23 C ATOM 392 CD2 TYR A 27 17.250 2.195 2.377 1.00 3.13 C ATOM 393 CE1 TYR A 27 18.463 1.350 4.707 1.00 2.40 C ATOM 394 CE2 TYR A 27 18.538 1.697 2.340 1.00 4.24 C ATOM 395 CZ TYR A 27 19.141 1.277 3.508 1.00 73.32 C ATOM 396 OH TYR A 27 20.424 0.780 3.476 1.00 14.13 O ATOM 0 H TYR A 27 14.826 1.442 6.241 1.00 2.22 H new ATOM 0 HA TYR A 27 13.131 2.152 3.986 1.00 30.25 H new ATOM 0 HB2 TYR A 27 14.798 2.998 2.585 1.00 33.54 H new ATOM 0 HB3 TYR A 27 15.142 3.793 4.109 1.00 33.54 H new ATOM 0 HD1 TYR A 27 16.647 1.902 5.675 1.00 11.23 H new ATOM 0 HD2 TYR A 27 16.781 2.524 1.461 1.00 3.13 H new ATOM 0 HE1 TYR A 27 18.937 1.020 5.620 1.00 2.40 H new ATOM 0 HE2 TYR A 27 19.070 1.637 1.402 1.00 4.24 H new ATOM 0 HH TYR A 27 20.758 0.796 2.555 1.00 14.13 H new ATOM 406 N CYS A 28 13.825 -0.002 2.848 1.00 75.52 N ATOM 407 CA CYS A 28 14.011 -1.372 2.383 1.00 0.33 C ATOM 408 C CYS A 28 15.492 -1.681 2.181 1.00 13.43 C ATOM 409 O CYS A 28 16.295 -0.783 1.931 1.00 41.32 O ATOM 410 CB CYS A 28 13.249 -1.597 1.076 1.00 32.31 C ATOM 411 SG CYS A 28 11.489 -2.010 1.303 1.00 21.43 S ATOM 0 H CYS A 28 13.205 0.560 2.265 1.00 75.52 H new ATOM 0 HA CYS A 28 13.618 -2.045 3.145 1.00 0.33 H new ATOM 0 HB2 CYS A 28 13.324 -0.698 0.465 1.00 32.31 H new ATOM 0 HB3 CYS A 28 13.731 -2.401 0.521 1.00 32.31 H new ATOM 416 N ALA A 29 15.845 -2.957 2.292 1.00 74.11 N ATOM 417 CA ALA A 29 17.227 -3.385 2.119 1.00 22.22 C ATOM 418 C ALA A 29 17.304 -4.689 1.331 1.00 0.52 C ATOM 419 O ALA A 29 16.458 -5.569 1.486 1.00 31.12 O ATOM 420 CB ALA A 29 17.903 -3.544 3.473 1.00 45.01 C ATOM 0 H ALA A 29 15.193 -3.713 2.501 1.00 74.11 H new ATOM 0 HA ALA A 29 17.751 -2.616 1.551 1.00 22.22 H new ATOM 0 HB1 ALA A 29 18.935 -3.864 3.329 1.00 45.01 H new ATOM 0 HB2 ALA A 29 17.889 -2.590 4.001 1.00 45.01 H new ATOM 0 HB3 ALA A 29 17.370 -4.292 4.060 1.00 45.01 H new ATOM 426 N TRP A 30 18.322 -4.804 0.486 1.00 20.13 N ATOM 427 CA TRP A 30 18.508 -6.001 -0.327 1.00 2.43 C ATOM 428 C TRP A 30 19.141 -7.121 0.491 1.00 63.23 C ATOM 429 O TRP A 30 19.654 -6.890 1.586 1.00 44.44 O ATOM 430 CB TRP A 30 19.380 -5.685 -1.543 1.00 52.13 C ATOM 431 CG TRP A 30 18.588 -5.387 -2.780 1.00 74.03 C ATOM 432 CD1 TRP A 30 18.740 -4.315 -3.613 1.00 63.40 C ATOM 433 CD2 TRP A 30 17.518 -6.170 -3.322 1.00 44.34 C ATOM 434 NE1 TRP A 30 17.830 -4.385 -4.640 1.00 42.32 N ATOM 435 CE2 TRP A 30 17.070 -5.513 -4.485 1.00 74.42 C ATOM 436 CE3 TRP A 30 16.898 -7.362 -2.940 1.00 52.01 C ATOM 437 CZ2 TRP A 30 16.029 -6.010 -5.266 1.00 21.35 C ATOM 438 CZ3 TRP A 30 15.865 -7.854 -3.715 1.00 50.35 C ATOM 439 CH2 TRP A 30 15.439 -7.179 -4.868 1.00 25.33 C ATOM 0 H TRP A 30 19.031 -4.084 0.346 1.00 20.13 H new ATOM 0 HA TRP A 30 17.528 -6.335 -0.668 1.00 2.43 H new ATOM 0 HB2 TRP A 30 20.016 -4.830 -1.313 1.00 52.13 H new ATOM 0 HB3 TRP A 30 20.040 -6.530 -1.738 1.00 52.13 H new ATOM 0 HD1 TRP A 30 19.468 -3.528 -3.483 1.00 63.40 H new ATOM 0 HE1 TRP A 30 17.736 -3.706 -5.396 1.00 42.32 H new ATOM 0 HE3 TRP A 30 17.220 -7.890 -2.055 1.00 52.01 H new ATOM 0 HZ2 TRP A 30 15.699 -5.491 -6.154 1.00 21.35 H new ATOM 0 HZ3 TRP A 30 15.378 -8.774 -3.428 1.00 50.35 H new ATOM 0 HH2 TRP A 30 14.630 -7.590 -5.453 1.00 25.33 H new ATOM 450 N ASP A 31 19.102 -8.335 -0.047 1.00 71.05 N ATOM 451 CA ASP A 31 19.673 -9.492 0.632 1.00 4.33 C ATOM 452 C ASP A 31 19.025 -9.695 1.998 1.00 55.11 C ATOM 453 O ASP A 31 19.656 -10.194 2.928 1.00 32.23 O ATOM 454 CB ASP A 31 21.185 -9.321 0.792 1.00 12.44 C ATOM 455 CG ASP A 31 21.846 -8.802 -0.470 1.00 33.42 C ATOM 456 OD1 ASP A 31 22.050 -9.605 -1.404 1.00 44.12 O ATOM 457 OD2 ASP A 31 22.159 -7.594 -0.523 1.00 21.51 O ATOM 0 H ASP A 31 18.681 -8.543 -0.952 1.00 71.05 H new ATOM 0 HA ASP A 31 19.477 -10.374 0.022 1.00 4.33 H new ATOM 0 HB2 ASP A 31 21.385 -8.632 1.613 1.00 12.44 H new ATOM 0 HB3 ASP A 31 21.629 -10.279 1.064 1.00 12.44 H new ATOM 462 N GLY A 32 17.759 -9.303 2.111 1.00 51.15 N ATOM 463 CA GLY A 32 17.046 -9.449 3.366 1.00 20.11 C ATOM 464 C GLY A 32 17.753 -8.762 4.518 1.00 52.25 C ATOM 465 O GLY A 32 18.697 -7.998 4.311 1.00 75.15 O ATOM 0 H GLY A 32 17.215 -8.887 1.355 1.00 51.15 H new ATOM 0 HA2 GLY A 32 16.043 -9.035 3.261 1.00 20.11 H new ATOM 0 HA3 GLY A 32 16.931 -10.509 3.594 1.00 20.11 H new ATOM 469 N THR A 33 17.295 -9.031 5.736 1.00 22.04 N ATOM 470 CA THR A 33 17.888 -8.431 6.925 1.00 33.11 C ATOM 471 C THR A 33 19.354 -8.823 7.066 1.00 41.41 C ATOM 472 O THR A 33 19.745 -9.938 6.721 1.00 42.25 O ATOM 473 CB THR A 33 17.132 -8.848 8.201 1.00 50.11 C ATOM 474 OG1 THR A 33 15.723 -8.883 7.947 1.00 42.43 O ATOM 475 CG2 THR A 33 17.423 -7.884 9.342 1.00 61.45 C ATOM 0 H THR A 33 16.515 -9.661 5.925 1.00 22.04 H new ATOM 0 HA THR A 33 17.814 -7.350 6.804 1.00 33.11 H new ATOM 0 HB THR A 33 17.473 -9.842 8.490 1.00 50.11 H new ATOM 0 HG1 THR A 33 15.250 -9.151 8.763 1.00 42.43 H new ATOM 0 HG21 THR A 33 16.878 -8.199 10.232 1.00 61.45 H new ATOM 0 HG22 THR A 33 18.492 -7.882 9.553 1.00 61.45 H new ATOM 0 HG23 THR A 33 17.107 -6.880 9.059 1.00 61.45 H new ATOM 483 N PHE A 34 20.162 -7.899 7.576 1.00 41.12 N ATOM 484 CA PHE A 34 21.587 -8.148 7.762 1.00 33.01 C ATOM 485 C PHE A 34 21.914 -8.357 9.238 1.00 72.43 C ATOM 486 O PHE A 34 21.606 -7.513 10.079 1.00 51.02 O ATOM 487 CB PHE A 34 22.407 -6.982 7.207 1.00 51.22 C ATOM 488 CG PHE A 34 22.722 -7.113 5.744 1.00 34.10 C ATOM 489 CD1 PHE A 34 23.713 -7.979 5.310 1.00 14.40 C ATOM 490 CD2 PHE A 34 22.027 -6.370 4.803 1.00 33.41 C ATOM 491 CE1 PHE A 34 24.004 -8.102 3.965 1.00 65.24 C ATOM 492 CE2 PHE A 34 22.314 -6.490 3.456 1.00 32.15 C ATOM 493 CZ PHE A 34 23.305 -7.356 3.037 1.00 53.02 C ATOM 0 H PHE A 34 19.854 -6.971 7.868 1.00 41.12 H new ATOM 0 HA PHE A 34 21.846 -9.056 7.218 1.00 33.01 H new ATOM 0 HB2 PHE A 34 21.860 -6.053 7.371 1.00 51.22 H new ATOM 0 HB3 PHE A 34 23.340 -6.906 7.766 1.00 51.22 H new ATOM 0 HD1 PHE A 34 24.264 -8.564 6.031 1.00 14.40 H new ATOM 0 HD2 PHE A 34 21.253 -5.690 5.126 1.00 33.41 H new ATOM 0 HE1 PHE A 34 24.778 -8.781 3.640 1.00 65.24 H new ATOM 0 HE2 PHE A 34 21.764 -5.907 2.732 1.00 32.15 H new ATOM 0 HZ PHE A 34 23.533 -7.449 1.985 1.00 53.02 H new ATOM 503 N SER A 35 22.539 -9.489 9.544 1.00 24.52 N ATOM 504 CA SER A 35 22.905 -9.813 10.918 1.00 33.13 C ATOM 505 C SER A 35 24.340 -9.387 11.214 1.00 73.35 C ATOM 506 O SER A 35 25.054 -8.920 10.328 1.00 74.14 O ATOM 507 CB SER A 35 22.744 -11.313 11.171 1.00 34.34 C ATOM 508 OG SER A 35 23.377 -11.698 12.380 1.00 53.45 O ATOM 0 H SER A 35 22.803 -10.197 8.859 1.00 24.52 H new ATOM 0 HA SER A 35 22.238 -9.266 11.584 1.00 33.13 H new ATOM 0 HB2 SER A 35 21.685 -11.566 11.215 1.00 34.34 H new ATOM 0 HB3 SER A 35 23.171 -11.873 10.339 1.00 34.34 H new ATOM 0 HG SER A 35 23.258 -12.661 12.519 1.00 53.45 H new TER 514 SER A 35