USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 271 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 23 ASN : amide:sc= 2.12 K(o=2.1,f=-14!) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 172:sc=-0.00745 (180deg=-0.158) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00702 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.7) USER MOD Single : A 27 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.19) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.89) USER MOD Single : A 35 SER OG : rot 180:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 21 N LYS A 3 -9.208 3.367 -6.436 1.00 1.00 N ATOM 22 CA LYS A 3 -10.193 2.429 -5.872 1.00 1.00 C ATOM 23 C LYS A 3 -9.890 2.033 -4.410 1.00 1.00 C ATOM 24 O LYS A 3 -10.523 1.115 -3.907 1.00 1.00 O ATOM 25 CB LYS A 3 -10.257 1.200 -6.811 1.00 1.00 C ATOM 26 CG LYS A 3 -11.561 0.381 -6.779 1.00 1.00 C ATOM 27 CD LYS A 3 -11.391 -0.878 -7.647 1.00 1.00 C ATOM 28 CE LYS A 3 -12.641 -1.769 -7.693 1.00 1.00 C ATOM 29 NZ LYS A 3 -13.761 -1.149 -8.431 1.00 1.00 N ATOM 0 HA LYS A 3 -11.166 2.917 -5.821 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -10.093 1.542 -7.833 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -9.430 0.536 -6.561 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -11.803 0.100 -5.754 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -12.391 0.983 -7.149 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -11.133 -0.577 -8.662 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.553 -1.462 -7.265 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -12.386 -2.720 -8.161 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -12.961 -1.990 -6.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -14.577 -1.794 -8.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -14.026 -0.254 -7.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -13.469 -0.962 -9.411 1.00 1.00 H new ATOM 43 N LEU A 4 -8.959 2.721 -3.735 1.00 1.00 N ATOM 44 CA LEU A 4 -8.197 2.312 -2.567 1.00 1.00 C ATOM 45 C LEU A 4 -9.045 1.775 -1.397 1.00 1.00 C ATOM 46 O LEU A 4 -9.528 2.573 -0.590 1.00 1.00 O ATOM 47 CB LEU A 4 -7.235 3.466 -2.256 1.00 1.00 C ATOM 48 CG LEU A 4 -6.097 3.141 -1.287 1.00 1.00 C ATOM 49 CD1 LEU A 4 -5.441 1.766 -1.442 1.00 1.00 C ATOM 50 CD2 LEU A 4 -5.025 4.214 -1.384 1.00 1.00 C ATOM 0 H LEU A 4 -8.703 3.664 -4.027 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.612 1.416 -2.774 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.801 3.815 -3.193 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -7.812 4.294 -1.845 1.00 1.00 H new ATOM 0 HG LEU A 4 -6.575 3.116 -0.308 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.650 1.654 -0.700 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -6.189 0.987 -1.295 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -5.016 1.676 -2.442 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.214 3.982 -0.693 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.636 4.249 -2.402 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -5.455 5.182 -1.127 1.00 1.00 H new ATOM 62 N PRO A 5 -9.252 0.447 -1.293 1.00 1.00 N ATOM 63 CA PRO A 5 -10.156 -0.186 -0.331 1.00 1.00 C ATOM 64 C PRO A 5 -9.496 -0.488 1.016 1.00 1.00 C ATOM 65 O PRO A 5 -8.277 -0.427 1.116 1.00 1.00 O ATOM 66 CB PRO A 5 -10.506 -1.530 -0.966 1.00 1.00 C ATOM 67 CG PRO A 5 -9.311 -1.903 -1.834 1.00 1.00 C ATOM 68 CD PRO A 5 -8.675 -0.557 -2.173 1.00 1.00 C ATOM 0 HA PRO A 5 -10.998 0.477 -0.133 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.687 -2.287 -0.203 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -11.415 -1.455 -1.563 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.616 -2.551 -1.301 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.620 -2.437 -2.732 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.594 -0.603 -2.042 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.859 -0.300 -3.216 1.00 1.00 H new ATOM 76 N PRO A 6 -10.248 -0.929 2.039 1.00 1.00 N ATOM 77 CA PRO A 6 -9.654 -1.648 3.159 1.00 1.00 C ATOM 78 C PRO A 6 -8.974 -2.944 2.674 1.00 1.00 C ATOM 79 O PRO A 6 -9.152 -3.363 1.529 1.00 1.00 O ATOM 80 CB PRO A 6 -10.820 -1.916 4.116 1.00 1.00 C ATOM 81 CG PRO A 6 -12.030 -1.996 3.191 1.00 1.00 C ATOM 82 CD PRO A 6 -11.701 -0.963 2.118 1.00 1.00 C ATOM 0 HA PRO A 6 -8.866 -1.082 3.656 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.678 -2.843 4.672 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -10.928 -1.118 4.850 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.152 -2.994 2.769 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -12.956 -1.756 3.714 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -12.139 -1.241 1.159 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -12.102 0.016 2.380 1.00 1.00 H new ATOM 90 N GLY A 7 -8.190 -3.594 3.536 1.00 1.00 N ATOM 91 CA GLY A 7 -7.548 -4.868 3.209 1.00 1.00 C ATOM 92 C GLY A 7 -6.140 -4.703 2.637 1.00 1.00 C ATOM 93 O GLY A 7 -5.780 -5.376 1.671 1.00 1.00 O ATOM 0 H GLY A 7 -7.983 -3.254 4.475 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.499 -5.484 4.107 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -8.165 -5.404 2.488 1.00 1.00 H new ATOM 97 N TRP A 8 -5.323 -3.822 3.225 1.00 1.00 N ATOM 98 CA TRP A 8 -3.988 -3.521 2.755 1.00 1.00 C ATOM 99 C TRP A 8 -2.926 -3.692 3.822 1.00 1.00 C ATOM 100 O TRP A 8 -3.110 -3.256 4.956 1.00 1.00 O ATOM 101 CB TRP A 8 -3.956 -2.088 2.220 1.00 1.00 C ATOM 102 CG TRP A 8 -4.628 -1.887 0.901 1.00 1.00 C ATOM 103 CD1 TRP A 8 -5.940 -2.055 0.621 1.00 1.00 C ATOM 104 CD2 TRP A 8 -4.009 -1.523 -0.365 1.00 1.00 C ATOM 105 NE1 TRP A 8 -6.146 -1.819 -0.709 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.991 -1.526 -1.385 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.697 -1.229 -0.759 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.682 -1.317 -2.736 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.366 -0.999 -2.104 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.351 -1.073 -3.098 1.00 1.00 C ATOM 0 H TRP A 8 -5.587 -3.294 4.057 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.755 -4.236 1.966 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.426 -1.433 2.953 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -2.916 -1.773 2.132 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.703 -2.331 1.334 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -7.064 -1.857 -1.152 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -1.921 -1.178 -0.010 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.458 -1.344 -3.486 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.347 -0.764 -2.374 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -3.086 -0.943 -4.137 1.00 1.00 H new ATOM 121 N GLU A 9 -1.786 -4.272 3.439 1.00 1.00 N ATOM 122 CA GLU A 9 -0.555 -4.110 4.183 1.00 1.00 C ATOM 123 C GLU A 9 0.168 -2.917 3.575 1.00 1.00 C ATOM 124 O GLU A 9 0.306 -2.796 2.350 1.00 1.00 O ATOM 125 CB GLU A 9 0.318 -5.374 4.169 1.00 1.00 C ATOM 126 CG GLU A 9 -0.183 -6.394 5.203 1.00 1.00 C ATOM 127 CD GLU A 9 0.975 -7.062 5.938 1.00 1.00 C ATOM 128 OE1 GLU A 9 1.600 -6.405 6.811 1.00 1.00 O ATOM 129 OE2 GLU A 9 1.274 -8.246 5.663 1.00 1.00 O ATOM 0 H GLU A 9 -1.700 -4.860 2.610 1.00 1.00 H new ATOM 0 HA GLU A 9 -0.775 -3.938 5.237 1.00 1.00 H new ATOM 0 HB2 GLU A 9 0.304 -5.820 3.175 1.00 1.00 H new ATOM 0 HB3 GLU A 9 1.353 -5.109 4.385 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -0.832 -5.895 5.922 1.00 1.00 H new ATOM 0 HG3 GLU A 9 -0.785 -7.154 4.704 1.00 1.00 H new ATOM 136 N LYS A 10 0.591 -2.009 4.451 1.00 1.00 N ATOM 137 CA LYS A 10 1.311 -0.801 4.102 1.00 1.00 C ATOM 138 C LYS A 10 2.781 -1.128 4.297 1.00 1.00 C ATOM 139 O LYS A 10 3.360 -0.911 5.364 1.00 1.00 O ATOM 140 CB LYS A 10 0.801 0.384 4.928 1.00 1.00 C ATOM 141 CG LYS A 10 -0.711 0.575 4.722 1.00 1.00 C ATOM 142 CD LYS A 10 -1.186 1.938 5.228 1.00 1.00 C ATOM 143 CE LYS A 10 -2.700 1.951 5.392 1.00 1.00 C ATOM 144 NZ LYS A 10 -3.092 1.357 6.686 1.00 1.00 N ATOM 0 H LYS A 10 0.434 -2.103 5.454 1.00 1.00 H new ATOM 0 HA LYS A 10 1.154 -0.488 3.070 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.011 0.216 5.984 1.00 1.00 H new ATOM 0 HB3 LYS A 10 1.331 1.291 4.638 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -0.949 0.478 3.663 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -1.251 -0.215 5.244 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.710 2.164 6.182 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -0.884 2.717 4.528 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -3.068 2.975 5.330 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -3.164 1.396 4.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -4.128 1.376 6.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -2.758 0.373 6.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -2.666 1.903 7.462 1.00 1.00 H new ATOM 158 N ARG A 11 3.349 -1.747 3.270 1.00 1.00 N ATOM 159 CA ARG A 11 4.696 -2.285 3.274 1.00 1.00 C ATOM 160 C ARG A 11 5.577 -1.240 2.646 1.00 1.00 C ATOM 161 O ARG A 11 5.103 -0.441 1.837 1.00 1.00 O ATOM 162 CB ARG A 11 4.769 -3.577 2.446 1.00 1.00 C ATOM 163 CG ARG A 11 5.404 -4.767 3.171 1.00 1.00 C ATOM 164 CD ARG A 11 6.885 -4.571 3.525 1.00 1.00 C ATOM 165 NE ARG A 11 7.056 -4.031 4.877 1.00 1.00 N ATOM 166 CZ ARG A 11 8.149 -3.438 5.369 1.00 1.00 C ATOM 167 NH1 ARG A 11 9.179 -3.132 4.579 1.00 1.00 N ATOM 168 NH2 ARG A 11 8.180 -3.130 6.657 1.00 1.00 N ATOM 0 H ARG A 11 2.865 -1.891 2.384 1.00 1.00 H new ATOM 0 HA ARG A 11 5.009 -2.523 4.291 1.00 1.00 H new ATOM 0 HB2 ARG A 11 3.760 -3.853 2.138 1.00 1.00 H new ATOM 0 HB3 ARG A 11 5.336 -3.378 1.537 1.00 1.00 H new ATOM 0 HG2 ARG A 11 4.846 -4.960 4.087 1.00 1.00 H new ATOM 0 HG3 ARG A 11 5.306 -5.654 2.545 1.00 1.00 H new ATOM 0 HD2 ARG A 11 7.407 -5.525 3.446 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.345 -3.896 2.803 1.00 1.00 H new ATOM 0 HE ARG A 11 6.259 -4.116 5.508 1.00 1.00 H new ATOM 0 HH11 ARG A 11 9.140 -3.350 3.583 1.00 1.00 H new ATOM 0 HH12 ARG A 11 10.005 -2.680 4.970 1.00 1.00 H new ATOM 0 HH21 ARG A 11 7.380 -3.346 7.252 1.00 1.00 H new ATOM 0 HH22 ARG A 11 9.004 -2.677 7.053 1.00 1.00 H new ATOM 182 N MET A 12 6.862 -1.336 2.938 1.00 1.00 N ATOM 183 CA MET A 12 7.883 -0.598 2.226 1.00 1.00 C ATOM 184 C MET A 12 8.616 -1.527 1.282 1.00 1.00 C ATOM 185 O MET A 12 9.122 -2.564 1.718 1.00 1.00 O ATOM 186 CB MET A 12 8.886 0.119 3.140 1.00 1.00 C ATOM 187 CG MET A 12 8.314 1.379 3.785 1.00 1.00 C ATOM 188 SD MET A 12 9.584 2.521 4.390 1.00 1.00 S ATOM 189 CE MET A 12 8.540 3.966 4.716 1.00 1.00 C ATOM 0 H MET A 12 7.226 -1.933 3.681 1.00 1.00 H new ATOM 0 HA MET A 12 7.367 0.186 1.672 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.210 -0.567 3.922 1.00 1.00 H new ATOM 0 HB3 MET A 12 9.771 0.384 2.561 1.00 1.00 H new ATOM 0 HG2 MET A 12 7.687 1.897 3.059 1.00 1.00 H new ATOM 0 HG3 MET A 12 7.669 1.092 4.616 1.00 1.00 H new ATOM 0 HE1 MET A 12 9.125 4.729 5.230 1.00 1.00 H new ATOM 0 HE2 MET A 12 8.169 4.367 3.773 1.00 1.00 H new ATOM 0 HE3 MET A 12 7.697 3.672 5.342 1.00 1.00 H new ATOM 199 N SER A 13 8.717 -1.109 0.020 1.00 1.00 N ATOM 200 CA SER A 13 9.717 -1.607 -0.905 1.00 1.00 C ATOM 201 C SER A 13 11.054 -1.190 -0.304 1.00 1.00 C ATOM 202 O SER A 13 11.353 0.006 -0.248 1.00 1.00 O ATOM 203 CB SER A 13 9.492 -0.990 -2.293 1.00 1.00 C ATOM 204 OG SER A 13 10.452 -1.429 -3.229 1.00 1.00 O ATOM 0 H SER A 13 8.097 -0.408 -0.386 1.00 1.00 H new ATOM 0 HA SER A 13 9.673 -2.688 -1.041 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.495 -1.250 -2.648 1.00 1.00 H new ATOM 0 HB3 SER A 13 9.530 0.097 -2.217 1.00 1.00 H new ATOM 0 HG SER A 13 10.273 -1.015 -4.099 1.00 1.00 H new ATOM 210 N ARG A 14 11.842 -2.141 0.202 1.00 1.00 N ATOM 211 CA ARG A 14 13.130 -1.848 0.832 1.00 1.00 C ATOM 212 C ARG A 14 14.112 -1.260 -0.181 1.00 1.00 C ATOM 213 O ARG A 14 15.100 -0.648 0.228 1.00 1.00 O ATOM 214 CB ARG A 14 13.724 -3.116 1.471 1.00 1.00 C ATOM 215 CG ARG A 14 12.854 -3.724 2.585 1.00 1.00 C ATOM 216 CD ARG A 14 13.437 -5.052 3.090 1.00 1.00 C ATOM 217 NE ARG A 14 14.755 -4.884 3.729 1.00 1.00 N ATOM 218 CZ ARG A 14 15.021 -4.746 5.035 1.00 1.00 C ATOM 219 NH1 ARG A 14 14.057 -4.846 5.946 1.00 1.00 N ATOM 220 NH2 ARG A 14 16.267 -4.496 5.421 1.00 1.00 N ATOM 0 H ARG A 14 11.606 -3.133 0.186 1.00 1.00 H new ATOM 0 HA ARG A 14 12.959 -1.110 1.615 1.00 1.00 H new ATOM 0 HB2 ARG A 14 13.876 -3.865 0.694 1.00 1.00 H new ATOM 0 HB3 ARG A 14 14.706 -2.878 1.880 1.00 1.00 H new ATOM 0 HG2 ARG A 14 12.777 -3.020 3.414 1.00 1.00 H new ATOM 0 HG3 ARG A 14 11.843 -3.887 2.211 1.00 1.00 H new ATOM 0 HD2 ARG A 14 12.746 -5.501 3.803 1.00 1.00 H new ATOM 0 HD3 ARG A 14 13.528 -5.746 2.255 1.00 1.00 H new ATOM 0 HE ARG A 14 15.560 -4.871 3.103 1.00 1.00 H new ATOM 0 HH11 ARG A 14 13.097 -5.031 5.655 1.00 1.00 H new ATOM 0 HH12 ARG A 14 14.278 -4.738 6.936 1.00 1.00 H new ATOM 0 HH21 ARG A 14 17.009 -4.411 4.726 1.00 1.00 H new ATOM 0 HH22 ARG A 14 16.482 -4.389 6.412 1.00 1.00 H new ATOM 234 N SER A 15 13.861 -1.413 -1.481 1.00 1.00 N ATOM 235 CA SER A 15 14.706 -0.949 -2.567 1.00 1.00 C ATOM 236 C SER A 15 15.031 0.543 -2.446 1.00 1.00 C ATOM 237 O SER A 15 16.176 0.920 -2.704 1.00 1.00 O ATOM 238 CB SER A 15 14.026 -1.317 -3.886 1.00 1.00 C ATOM 239 OG SER A 15 13.768 -2.713 -3.858 1.00 1.00 O ATOM 0 H SER A 15 13.022 -1.887 -1.815 1.00 1.00 H new ATOM 0 HA SER A 15 15.677 -1.442 -2.524 1.00 1.00 H new ATOM 0 HB2 SER A 15 13.098 -0.758 -4.008 1.00 1.00 H new ATOM 0 HB3 SER A 15 14.665 -1.062 -4.731 1.00 1.00 H new ATOM 0 HG SER A 15 13.329 -2.981 -4.692 1.00 1.00 H new ATOM 245 N SER A 16 14.088 1.356 -1.955 1.00 1.00 N ATOM 246 CA SER A 16 14.314 2.739 -1.540 1.00 1.00 C ATOM 247 C SER A 16 13.874 2.981 -0.093 1.00 1.00 C ATOM 248 O SER A 16 14.331 3.927 0.548 1.00 1.00 O ATOM 249 CB SER A 16 13.528 3.676 -2.460 1.00 1.00 C ATOM 250 OG SER A 16 13.617 3.269 -3.815 1.00 1.00 O ATOM 0 H SER A 16 13.120 1.058 -1.833 1.00 1.00 H new ATOM 0 HA SER A 16 15.384 2.936 -1.607 1.00 1.00 H new ATOM 0 HB2 SER A 16 12.482 3.696 -2.153 1.00 1.00 H new ATOM 0 HB3 SER A 16 13.910 4.692 -2.358 1.00 1.00 H new ATOM 0 HG SER A 16 13.103 3.886 -4.376 1.00 1.00 H new ATOM 256 N GLY A 17 12.971 2.154 0.434 1.00 1.00 N ATOM 257 CA GLY A 17 12.201 2.431 1.634 1.00 1.00 C ATOM 258 C GLY A 17 11.142 3.475 1.340 1.00 1.00 C ATOM 259 O GLY A 17 11.184 4.567 1.913 1.00 1.00 O ATOM 0 H GLY A 17 12.753 1.247 0.021 1.00 1.00 H new ATOM 0 HA2 GLY A 17 11.731 1.516 1.994 1.00 1.00 H new ATOM 0 HA3 GLY A 17 12.861 2.784 2.426 1.00 1.00 H new ATOM 263 N ARG A 18 10.203 3.156 0.446 1.00 1.00 N ATOM 264 CA ARG A 18 8.951 3.895 0.334 1.00 1.00 C ATOM 265 C ARG A 18 7.801 2.964 0.609 1.00 1.00 C ATOM 266 O ARG A 18 7.871 1.793 0.232 1.00 1.00 O ATOM 267 CB ARG A 18 8.684 4.412 -1.070 1.00 1.00 C ATOM 268 CG ARG A 18 9.621 5.506 -1.598 1.00 1.00 C ATOM 269 CD ARG A 18 8.901 6.334 -2.677 1.00 1.00 C ATOM 270 NE ARG A 18 7.985 7.340 -2.098 1.00 1.00 N ATOM 271 CZ ARG A 18 8.333 8.577 -1.717 1.00 1.00 C ATOM 272 NH1 ARG A 18 9.586 8.997 -1.836 1.00 1.00 N ATOM 273 NH2 ARG A 18 7.433 9.394 -1.184 1.00 1.00 N ATOM 0 H ARG A 18 10.291 2.384 -0.214 1.00 1.00 H new ATOM 0 HA ARG A 18 9.037 4.725 1.036 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.729 3.567 -1.757 1.00 1.00 H new ATOM 0 HB3 ARG A 18 7.664 4.795 -1.102 1.00 1.00 H new ATOM 0 HG2 ARG A 18 9.936 6.154 -0.780 1.00 1.00 H new ATOM 0 HG3 ARG A 18 10.523 5.056 -2.014 1.00 1.00 H new ATOM 0 HD2 ARG A 18 9.641 6.836 -3.300 1.00 1.00 H new ATOM 0 HD3 ARG A 18 8.338 5.666 -3.328 1.00 1.00 H new ATOM 0 HE ARG A 18 7.008 7.071 -1.979 1.00 1.00 H new ATOM 0 HH11 ARG A 18 10.298 8.376 -2.221 1.00 1.00 H new ATOM 0 HH12 ARG A 18 9.838 9.941 -1.542 1.00 1.00 H new ATOM 0 HH21 ARG A 18 6.470 9.082 -1.062 1.00 1.00 H new ATOM 0 HH22 ARG A 18 7.705 10.334 -0.896 1.00 1.00 H new ATOM 287 N VAL A 19 6.711 3.508 1.132 1.00 1.00 N ATOM 288 CA VAL A 19 5.539 2.760 1.540 1.00 1.00 C ATOM 289 C VAL A 19 4.524 2.763 0.385 1.00 1.00 C ATOM 290 O VAL A 19 3.381 3.166 0.534 1.00 1.00 O ATOM 291 CB VAL A 19 5.101 3.226 2.956 1.00 1.00 C ATOM 292 CG1 VAL A 19 4.325 4.541 3.014 1.00 1.00 C ATOM 293 CG2 VAL A 19 4.359 2.143 3.750 1.00 1.00 C ATOM 0 H VAL A 19 6.619 4.512 1.287 1.00 1.00 H new ATOM 0 HA VAL A 19 5.712 1.696 1.698 1.00 1.00 H new ATOM 0 HB VAL A 19 6.059 3.422 3.437 1.00 1.00 H new ATOM 0 HG11 VAL A 19 4.071 4.768 4.049 1.00 1.00 H new ATOM 0 HG12 VAL A 19 4.939 5.344 2.606 1.00 1.00 H new ATOM 0 HG13 VAL A 19 3.411 4.450 2.428 1.00 1.00 H new ATOM 0 HG21 VAL A 19 4.082 2.535 4.729 1.00 1.00 H new ATOM 0 HG22 VAL A 19 3.460 1.848 3.210 1.00 1.00 H new ATOM 0 HG23 VAL A 19 5.007 1.276 3.877 1.00 1.00 H new ATOM 303 N TYR A 20 4.938 2.272 -0.788 1.00 1.00 N ATOM 304 CA TYR A 20 4.078 2.001 -1.954 1.00 1.00 C ATOM 305 C TYR A 20 3.035 0.896 -1.711 1.00 1.00 C ATOM 306 O TYR A 20 2.500 0.352 -2.662 1.00 1.00 O ATOM 307 CB TYR A 20 4.899 1.608 -3.200 1.00 1.00 C ATOM 308 CG TYR A 20 5.459 0.185 -3.222 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.899 -0.434 -2.038 1.00 1.00 C ATOM 310 CD2 TYR A 20 5.378 -0.577 -4.405 1.00 1.00 C ATOM 311 CE1 TYR A 20 6.108 -1.823 -1.997 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.605 -1.965 -4.375 1.00 1.00 C ATOM 313 CZ TYR A 20 5.945 -2.596 -3.164 1.00 1.00 C ATOM 314 OH TYR A 20 6.148 -3.942 -3.148 1.00 1.00 O ATOM 0 H TYR A 20 5.917 2.043 -0.962 1.00 1.00 H new ATOM 0 HA TYR A 20 3.556 2.943 -2.123 1.00 1.00 H new ATOM 0 HB2 TYR A 20 4.270 1.742 -4.080 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.732 2.305 -3.295 1.00 1.00 H new ATOM 0 HD1 TYR A 20 6.077 0.162 -1.155 1.00 1.00 H new ATOM 0 HD2 TYR A 20 5.140 -0.092 -5.340 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.394 -2.299 -1.070 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.518 -2.546 -5.281 1.00 1.00 H new ATOM 0 HH TYR A 20 5.988 -4.308 -4.043 1.00 1.00 H new ATOM 324 N TYR A 21 2.764 0.530 -0.468 1.00 1.00 N ATOM 325 CA TYR A 21 1.984 -0.604 0.016 1.00 1.00 C ATOM 326 C TYR A 21 2.204 -1.897 -0.771 1.00 1.00 C ATOM 327 O TYR A 21 3.122 -2.028 -1.575 1.00 1.00 O ATOM 328 CB TYR A 21 0.509 -0.201 0.071 1.00 1.00 C ATOM 329 CG TYR A 21 0.161 1.063 0.824 1.00 1.00 C ATOM 330 CD1 TYR A 21 1.066 1.658 1.720 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.083 1.667 0.602 1.00 1.00 C ATOM 332 CE1 TYR A 21 0.773 2.875 2.343 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.399 2.854 1.270 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.474 3.489 2.118 1.00 1.00 C ATOM 335 OH TYR A 21 -0.816 4.631 2.776 1.00 1.00 O ATOM 0 H TYR A 21 3.123 1.079 0.313 1.00 1.00 H new ATOM 0 HA TYR A 21 2.337 -0.846 1.018 1.00 1.00 H new ATOM 0 HB2 TYR A 21 0.151 -0.093 -0.953 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -0.049 -1.024 0.518 1.00 1.00 H new ATOM 0 HD1 TYR A 21 2.004 1.166 1.931 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -1.792 1.220 -0.079 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.499 3.341 2.993 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.376 3.293 1.132 1.00 1.00 H new ATOM 0 HH TYR A 21 -0.008 5.149 2.973 1.00 1.00 H new ATOM 345 N PHE A 22 1.391 -2.915 -0.501 1.00 1.00 N ATOM 346 CA PHE A 22 1.254 -4.028 -1.404 1.00 1.00 C ATOM 347 C PHE A 22 -0.125 -4.702 -1.331 1.00 1.00 C ATOM 348 O PHE A 22 -0.330 -5.738 -1.958 1.00 1.00 O ATOM 349 CB PHE A 22 2.467 -4.949 -1.156 1.00 1.00 C ATOM 350 CG PHE A 22 2.260 -6.452 -1.166 1.00 1.00 C ATOM 351 CD1 PHE A 22 1.767 -7.081 -0.005 1.00 1.00 C ATOM 352 CD2 PHE A 22 2.543 -7.222 -2.309 1.00 1.00 C ATOM 353 CE1 PHE A 22 1.527 -8.462 0.006 1.00 1.00 C ATOM 354 CE2 PHE A 22 2.311 -8.610 -2.293 1.00 1.00 C ATOM 355 CZ PHE A 22 1.789 -9.227 -1.141 1.00 1.00 C ATOM 0 H PHE A 22 0.820 -2.982 0.342 1.00 1.00 H new ATOM 0 HA PHE A 22 1.274 -3.701 -2.444 1.00 1.00 H new ATOM 0 HB2 PHE A 22 3.218 -4.715 -1.910 1.00 1.00 H new ATOM 0 HB3 PHE A 22 2.892 -4.681 -0.189 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.573 -6.495 0.881 1.00 1.00 H new ATOM 0 HD2 PHE A 22 2.937 -6.749 -3.196 1.00 1.00 H new ATOM 0 HE1 PHE A 22 1.141 -8.937 0.896 1.00 1.00 H new ATOM 0 HE2 PHE A 22 2.534 -9.203 -3.167 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.590 -10.289 -1.140 1.00 1.00 H new ATOM 365 N ASN A 23 -1.116 -4.096 -0.656 1.00 1.00 N ATOM 366 CA ASN A 23 -2.400 -4.752 -0.350 1.00 1.00 C ATOM 367 C ASN A 23 -2.051 -6.031 0.446 1.00 1.00 C ATOM 368 O ASN A 23 -1.001 -6.072 1.082 1.00 1.00 O ATOM 369 CB ASN A 23 -3.194 -4.939 -1.667 1.00 1.00 C ATOM 370 CG ASN A 23 -4.659 -5.302 -1.501 1.00 1.00 C ATOM 371 OD1 ASN A 23 -4.984 -6.406 -1.108 1.00 1.00 O ATOM 372 ND2 ASN A 23 -5.579 -4.446 -1.879 1.00 1.00 N ATOM 0 H ASN A 23 -1.051 -3.140 -0.307 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.075 -4.171 0.278 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -3.129 -4.016 -2.244 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -2.709 -5.718 -2.256 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -6.564 -4.707 -1.843 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -5.309 -3.519 -2.209 1.00 1.00 H new ATOM 379 N HIS A 24 -2.918 -7.027 0.549 1.00 1.00 N ATOM 380 CA HIS A 24 -2.598 -8.395 0.864 1.00 1.00 C ATOM 381 C HIS A 24 -3.633 -9.331 0.221 1.00 1.00 C ATOM 382 O HIS A 24 -3.296 -10.440 -0.192 1.00 1.00 O ATOM 383 CB HIS A 24 -2.559 -8.603 2.366 1.00 1.00 C ATOM 384 CG HIS A 24 -3.663 -8.003 3.200 1.00 1.00 C ATOM 385 ND1 HIS A 24 -3.570 -6.852 3.944 1.00 1.00 N ATOM 386 CD2 HIS A 24 -4.895 -8.549 3.440 1.00 1.00 C ATOM 387 CE1 HIS A 24 -4.744 -6.683 4.569 1.00 1.00 C ATOM 388 NE2 HIS A 24 -5.596 -7.681 4.285 1.00 1.00 N ATOM 0 H HIS A 24 -3.918 -6.885 0.405 1.00 1.00 H new ATOM 0 HA HIS A 24 -1.611 -8.626 0.464 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.548 -9.677 2.553 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -1.612 -8.206 2.732 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.262 -9.485 3.046 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -4.975 -5.851 5.218 1.00 1.00 H new ATOM 0 HE2 HIS A 24 -6.555 -7.785 4.616 1.00 1.00 H new ATOM 396 N ILE A 25 -4.883 -8.886 0.106 1.00 1.00 N ATOM 397 CA ILE A 25 -5.980 -9.551 -0.580 1.00 1.00 C ATOM 398 C ILE A 25 -5.616 -9.730 -2.057 1.00 1.00 C ATOM 399 O ILE A 25 -5.617 -10.857 -2.557 1.00 1.00 O ATOM 400 CB ILE A 25 -7.272 -8.717 -0.376 1.00 1.00 C ATOM 401 CG1 ILE A 25 -7.549 -8.423 1.120 1.00 1.00 C ATOM 402 CG2 ILE A 25 -8.492 -9.355 -1.059 1.00 1.00 C ATOM 403 CD1 ILE A 25 -7.783 -9.666 1.990 1.00 1.00 C ATOM 0 H ILE A 25 -5.170 -7.997 0.516 1.00 1.00 H new ATOM 0 HA ILE A 25 -6.160 -10.545 -0.171 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.097 -7.759 -0.865 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -6.706 -7.865 1.528 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.424 -7.777 1.192 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.371 -8.734 -0.887 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.308 -9.436 -2.130 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.663 -10.348 -0.644 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -7.968 -9.360 3.020 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -8.646 -10.216 1.614 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -6.901 -10.306 1.955 1.00 1.00 H new ATOM 415 N THR A 26 -5.251 -8.648 -2.752 1.00 1.00 N ATOM 416 CA THR A 26 -5.107 -8.606 -4.203 1.00 1.00 C ATOM 417 C THR A 26 -3.719 -8.128 -4.676 1.00 1.00 C ATOM 418 O THR A 26 -3.582 -7.710 -5.832 1.00 1.00 O ATOM 419 CB THR A 26 -6.228 -7.760 -4.816 1.00 1.00 C ATOM 420 OG1 THR A 26 -6.244 -6.458 -4.265 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.617 -8.360 -4.619 1.00 1.00 C ATOM 0 H THR A 26 -5.043 -7.755 -2.305 1.00 1.00 H new ATOM 0 HA THR A 26 -5.193 -9.633 -4.558 1.00 1.00 H new ATOM 0 HB THR A 26 -6.007 -7.732 -5.883 1.00 1.00 H new ATOM 0 HG1 THR A 26 -6.967 -5.939 -4.674 1.00 1.00 H new ATOM 0 HG21 THR A 26 -8.362 -7.710 -5.077 1.00 1.00 H new ATOM 0 HG22 THR A 26 -7.658 -9.344 -5.086 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.825 -8.455 -3.553 1.00 1.00 H new ATOM 429 N ASN A 27 -2.696 -8.189 -3.811 1.00 1.00 N ATOM 430 CA ASN A 27 -1.273 -7.959 -4.103 1.00 1.00 C ATOM 431 C ASN A 27 -1.007 -6.824 -5.111 1.00 1.00 C ATOM 432 O ASN A 27 -0.579 -7.067 -6.243 1.00 1.00 O ATOM 433 CB ASN A 27 -0.556 -9.273 -4.473 1.00 1.00 C ATOM 434 CG ASN A 27 -0.995 -9.941 -5.772 1.00 1.00 C ATOM 435 OD1 ASN A 27 -0.307 -9.923 -6.790 1.00 1.00 O ATOM 436 ND2 ASN A 27 -2.108 -10.648 -5.749 1.00 1.00 N ATOM 0 H ASN A 27 -2.849 -8.414 -2.828 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.833 -7.596 -3.174 1.00 1.00 H new ATOM 0 HB2 ASN A 27 0.514 -9.073 -4.536 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -0.700 -9.982 -3.658 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -2.394 -11.176 -6.573 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -2.683 -10.667 -4.907 1.00 1.00 H new ATOM 443 N ALA A 28 -1.249 -5.572 -4.716 1.00 1.00 N ATOM 444 CA ALA A 28 -1.082 -4.383 -5.550 1.00 1.00 C ATOM 445 C ALA A 28 -0.624 -3.204 -4.698 1.00 1.00 C ATOM 446 O ALA A 28 -0.915 -3.161 -3.511 1.00 1.00 O ATOM 447 CB ALA A 28 -2.417 -4.046 -6.210 1.00 1.00 C ATOM 0 H ALA A 28 -1.577 -5.352 -3.776 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.329 -4.581 -6.313 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.301 -3.160 -6.834 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -2.740 -4.885 -6.827 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -3.165 -3.853 -5.441 1.00 1.00 H new ATOM 453 N SER A 29 0.048 -2.223 -5.289 1.00 1.00 N ATOM 454 CA SER A 29 0.836 -1.223 -4.570 1.00 1.00 C ATOM 455 C SER A 29 0.290 0.191 -4.842 1.00 1.00 C ATOM 456 O SER A 29 -0.120 0.461 -5.980 1.00 1.00 O ATOM 457 CB SER A 29 2.311 -1.427 -4.970 1.00 1.00 C ATOM 458 OG SER A 29 2.468 -2.020 -6.262 1.00 1.00 O ATOM 0 H SER A 29 0.062 -2.096 -6.301 1.00 1.00 H new ATOM 0 HA SER A 29 0.762 -1.342 -3.489 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.821 -0.464 -4.955 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.798 -2.058 -4.226 1.00 1.00 H new ATOM 0 HG SER A 29 3.422 -2.123 -6.461 1.00 1.00 H new ATOM 464 N GLN A 30 0.218 1.064 -3.818 1.00 1.00 N ATOM 465 CA GLN A 30 -0.293 2.450 -3.936 1.00 1.00 C ATOM 466 C GLN A 30 0.400 3.461 -3.022 1.00 1.00 C ATOM 467 O GLN A 30 1.153 3.079 -2.134 1.00 1.00 O ATOM 468 CB GLN A 30 -1.813 2.515 -3.707 1.00 1.00 C ATOM 469 CG GLN A 30 -2.519 1.989 -4.952 1.00 1.00 C ATOM 470 CD GLN A 30 -4.023 2.252 -4.943 1.00 1.00 C ATOM 471 OE1 GLN A 30 -4.480 3.364 -4.711 1.00 1.00 O ATOM 472 NE2 GLN A 30 -4.833 1.248 -5.226 1.00 1.00 N ATOM 0 H GLN A 30 0.516 0.826 -2.872 1.00 1.00 H new ATOM 0 HA GLN A 30 -0.058 2.737 -4.961 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -2.090 1.920 -2.836 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -2.121 3.541 -3.503 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -2.080 2.454 -5.835 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -2.344 0.916 -5.036 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -4.450 0.323 -5.419 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -5.842 1.398 -5.252 1.00 1.00 H new ATOM 481 N TRP A 31 0.132 4.755 -3.255 1.00 1.00 N ATOM 482 CA TRP A 31 0.758 5.885 -2.570 1.00 1.00 C ATOM 483 C TRP A 31 -0.249 6.655 -1.709 1.00 1.00 C ATOM 484 O TRP A 31 0.113 7.193 -0.658 1.00 1.00 O ATOM 485 CB TRP A 31 1.341 6.837 -3.620 1.00 1.00 C ATOM 486 CG TRP A 31 2.228 6.216 -4.653 1.00 1.00 C ATOM 487 CD1 TRP A 31 1.878 5.958 -5.933 1.00 1.00 C ATOM 488 CD2 TRP A 31 3.585 5.705 -4.500 1.00 1.00 C ATOM 489 NE1 TRP A 31 2.954 5.405 -6.600 1.00 1.00 N ATOM 490 CE2 TRP A 31 4.011 5.174 -5.751 1.00 1.00 C ATOM 491 CE3 TRP A 31 4.484 5.591 -3.422 1.00 1.00 C ATOM 492 CZ2 TRP A 31 5.252 4.546 -5.922 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.725 4.956 -3.581 1.00 1.00 C ATOM 494 CH2 TRP A 31 6.116 4.431 -4.823 1.00 1.00 C ATOM 0 H TRP A 31 -0.552 5.049 -3.952 1.00 1.00 H new ATOM 0 HA TRP A 31 1.538 5.497 -1.915 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.515 7.332 -4.130 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.907 7.612 -3.103 1.00 1.00 H new ATOM 0 HD1 TRP A 31 0.908 6.154 -6.367 1.00 1.00 H new ATOM 0 HE1 TRP A 31 2.963 5.194 -7.598 1.00 1.00 H new ATOM 0 HE3 TRP A 31 4.214 5.998 -2.459 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.539 4.156 -6.887 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 6.390 4.870 -2.734 1.00 1.00 H new ATOM 0 HH2 TRP A 31 7.073 3.943 -4.931 1.00 1.00 H new ATOM 505 N GLU A 32 -1.501 6.753 -2.162 1.00 1.00 N ATOM 506 CA GLU A 32 -2.633 7.276 -1.396 1.00 1.00 C ATOM 507 C GLU A 32 -2.890 6.355 -0.194 1.00 1.00 C ATOM 508 O GLU A 32 -2.238 5.325 -0.084 1.00 1.00 O ATOM 509 CB GLU A 32 -3.866 7.391 -2.317 1.00 1.00 C ATOM 510 CG GLU A 32 -3.607 8.203 -3.598 1.00 1.00 C ATOM 511 CD GLU A 32 -3.340 7.272 -4.789 1.00 1.00 C ATOM 512 OE1 GLU A 32 -2.246 6.662 -4.851 1.00 1.00 O ATOM 513 OE2 GLU A 32 -4.270 7.124 -5.617 1.00 1.00 O ATOM 0 H GLU A 32 -1.763 6.461 -3.104 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.415 8.274 -1.014 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -4.197 6.390 -2.593 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.681 7.855 -1.762 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -4.467 8.837 -3.812 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.753 8.864 -3.449 1.00 1.00 H new ATOM 520 N ARG A 33 -3.839 6.662 0.700 1.00 1.00 N ATOM 521 CA ARG A 33 -4.064 5.871 1.925 1.00 1.00 C ATOM 522 C ARG A 33 -5.497 5.328 1.975 1.00 1.00 C ATOM 523 O ARG A 33 -6.416 6.141 1.888 1.00 1.00 O ATOM 524 CB ARG A 33 -3.676 6.744 3.127 1.00 1.00 C ATOM 525 CG ARG A 33 -3.962 6.130 4.507 1.00 1.00 C ATOM 526 CD ARG A 33 -5.281 6.649 5.095 1.00 1.00 C ATOM 527 NE ARG A 33 -5.611 5.976 6.359 1.00 1.00 N ATOM 528 CZ ARG A 33 -5.179 6.320 7.580 1.00 1.00 C ATOM 529 NH1 ARG A 33 -4.322 7.327 7.745 1.00 1.00 N ATOM 530 NH2 ARG A 33 -5.593 5.646 8.641 1.00 1.00 N ATOM 0 H ARG A 33 -4.469 7.458 0.600 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.436 4.980 1.943 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -2.612 6.970 3.062 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -4.208 7.692 3.053 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -4.004 5.044 4.421 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -3.143 6.365 5.187 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -5.208 7.724 5.262 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -6.087 6.493 4.378 1.00 1.00 H new ATOM 0 HE ARG A 33 -6.230 5.167 6.301 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -3.986 7.848 6.935 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -4.003 7.577 8.681 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -6.240 4.866 8.529 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -5.265 5.907 9.571 1.00 1.00 H new ATOM 544 N PRO A 34 -5.740 4.010 2.100 1.00 1.00 N ATOM 545 CA PRO A 34 -7.095 3.492 2.178 1.00 1.00 C ATOM 546 C PRO A 34 -7.725 3.728 3.543 1.00 1.00 C ATOM 547 O PRO A 34 -7.056 4.060 4.528 1.00 1.00 O ATOM 548 CB PRO A 34 -6.991 1.985 1.946 1.00 1.00 C ATOM 549 CG PRO A 34 -5.540 1.600 2.146 1.00 1.00 C ATOM 550 CD PRO A 34 -4.775 2.920 2.075 1.00 1.00 C ATOM 0 HA PRO A 34 -7.720 3.997 1.442 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -7.632 1.444 2.642 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.322 1.727 0.940 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.390 1.107 3.106 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.205 0.906 1.375 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.085 3.005 2.915 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.177 2.964 1.165 1.00 1.00 H new ATOM 558 N SER A 35 -9.004 3.375 3.585 1.00 1.00 N ATOM 559 CA SER A 35 -9.799 3.053 4.752 1.00 1.00 C ATOM 560 C SER A 35 -8.999 2.173 5.723 1.00 1.00 C ATOM 561 O SER A 35 -8.900 2.491 6.910 1.00 1.00 O ATOM 562 CB SER A 35 -11.044 2.311 4.241 1.00 1.00 C ATOM 563 OG SER A 35 -11.583 2.897 3.066 1.00 1.00 O ATOM 0 H SER A 35 -9.553 3.302 2.728 1.00 1.00 H new ATOM 0 HA SER A 35 -10.080 3.953 5.298 1.00 1.00 H new ATOM 0 HB2 SER A 35 -10.786 1.271 4.039 1.00 1.00 H new ATOM 0 HB3 SER A 35 -11.805 2.304 5.022 1.00 1.00 H new ATOM 0 HG SER A 35 -12.371 2.390 2.779 1.00 1.00 H new ATOM 569 N GLY A 36 -8.377 1.105 5.201 1.00 1.00 N ATOM 570 CA GLY A 36 -7.563 0.166 5.962 1.00 1.00 C ATOM 571 C GLY A 36 -8.416 -1.020 6.334 1.00 1.00 C ATOM 572 O GLY A 36 -9.496 -0.795 6.920 1.00 1.00 O ATOM 573 OXT GLY A 36 -8.035 -2.152 5.978 1.00 1.00 O ATOM 0 H GLY A 36 -8.433 0.871 4.210 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -6.705 -0.156 5.371 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -7.171 0.646 6.859 1.00 1.00 H new