USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=8 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= 0.739 K(o=0.86,f=-0.092) USER MOD Set 1.2: A 26 THR OG1 : rot -97:sc= 0.123 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 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc=-0.000683 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.8) USER MOD Single : A 27 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.5!) USER MOD Single : A 29 SER OG : rot 163:sc= 0.661 USER MOD Single : A 30 GLN : amide:sc= 0.051 X(o=0.051,f=-0.4) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00699 USER MOD ----------------------------------------------------------------- ATOM 21 N LYS A 3 -9.298 5.641 -4.905 1.00 1.00 N ATOM 22 CA LYS A 3 -8.470 5.685 -3.697 1.00 1.00 C ATOM 23 C LYS A 3 -7.978 4.269 -3.421 1.00 1.00 C ATOM 24 O LYS A 3 -7.491 3.617 -4.347 1.00 1.00 O ATOM 25 CB LYS A 3 -9.145 6.394 -2.504 1.00 1.00 C ATOM 26 CG LYS A 3 -9.564 7.838 -2.811 1.00 1.00 C ATOM 27 CD LYS A 3 -11.046 7.919 -3.178 1.00 1.00 C ATOM 28 CE LYS A 3 -11.383 9.333 -3.649 1.00 1.00 C ATOM 29 NZ LYS A 3 -12.800 9.456 -4.030 1.00 1.00 N ATOM 0 HA LYS A 3 -7.602 6.323 -3.863 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -10.024 5.825 -2.203 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.460 6.395 -1.656 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -9.367 8.469 -1.944 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -8.962 8.227 -3.632 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -11.276 7.199 -3.963 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -11.659 7.657 -2.316 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.156 10.045 -2.855 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.753 9.593 -4.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -12.992 10.429 -4.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -13.010 8.794 -4.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -13.400 9.232 -3.211 1.00 1.00 H new ATOM 43 N LEU A 4 -8.069 3.790 -2.185 1.00 1.00 N ATOM 44 CA LEU A 4 -7.743 2.423 -1.812 1.00 1.00 C ATOM 45 C LEU A 4 -8.878 1.925 -0.901 1.00 1.00 C ATOM 46 O LEU A 4 -9.453 2.738 -0.167 1.00 1.00 O ATOM 47 CB LEU A 4 -6.388 2.390 -1.076 1.00 1.00 C ATOM 48 CG LEU A 4 -5.147 2.723 -1.913 1.00 1.00 C ATOM 49 CD1 LEU A 4 -3.868 2.951 -1.092 1.00 1.00 C ATOM 50 CD2 LEU A 4 -4.774 1.565 -2.787 1.00 1.00 C ATOM 0 H LEU A 4 -8.380 4.358 -1.397 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.653 1.781 -2.689 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.435 3.091 -0.242 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.255 1.396 -0.650 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.439 3.627 -2.447 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -3.041 3.181 -1.764 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -4.020 3.784 -0.405 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.635 2.050 -0.524 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.891 1.821 -3.373 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.558 0.695 -2.166 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -5.601 1.335 -3.459 1.00 1.00 H new ATOM 62 N PRO A 5 -9.189 0.620 -0.902 1.00 1.00 N ATOM 63 CA PRO A 5 -10.077 -0.041 0.062 1.00 1.00 C ATOM 64 C PRO A 5 -9.346 -0.544 1.311 1.00 1.00 C ATOM 65 O PRO A 5 -8.125 -0.615 1.291 1.00 1.00 O ATOM 66 CB PRO A 5 -10.556 -1.283 -0.671 1.00 1.00 C ATOM 67 CG PRO A 5 -9.421 -1.636 -1.619 1.00 1.00 C ATOM 68 CD PRO A 5 -8.725 -0.311 -1.912 1.00 1.00 C ATOM 0 HA PRO A 5 -10.848 0.658 0.387 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.760 -2.098 0.023 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -11.480 -1.089 -1.215 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.735 -2.350 -1.164 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.798 -2.094 -2.533 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.642 -0.423 -1.871 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.971 0.045 -2.912 1.00 1.00 H new ATOM 76 N PRO A 6 -10.037 -1.037 2.352 1.00 1.00 N ATOM 77 CA PRO A 6 -9.405 -1.901 3.343 1.00 1.00 C ATOM 78 C PRO A 6 -8.938 -3.229 2.700 1.00 1.00 C ATOM 79 O PRO A 6 -9.419 -3.625 1.628 1.00 1.00 O ATOM 80 CB PRO A 6 -10.482 -2.129 4.408 1.00 1.00 C ATOM 81 CG PRO A 6 -11.787 -2.015 3.619 1.00 1.00 C ATOM 82 CD PRO A 6 -11.467 -0.934 2.592 1.00 1.00 C ATOM 0 HA PRO A 6 -8.508 -1.455 3.772 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.381 -3.107 4.879 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -10.426 -1.385 5.202 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.056 -2.958 3.143 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -12.623 -1.731 4.258 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -12.031 -1.087 1.672 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -11.732 0.055 2.967 1.00 1.00 H new ATOM 90 N GLY A 7 -8.008 -3.948 3.342 1.00 1.00 N ATOM 91 CA GLY A 7 -7.392 -5.175 2.819 1.00 1.00 C ATOM 92 C GLY A 7 -5.905 -5.009 2.495 1.00 1.00 C ATOM 93 O GLY A 7 -5.375 -5.661 1.591 1.00 1.00 O ATOM 0 H GLY A 7 -7.654 -3.686 4.262 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.511 -5.975 3.550 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -7.922 -5.485 1.918 1.00 1.00 H new ATOM 97 N TRP A 8 -5.224 -4.098 3.180 1.00 1.00 N ATOM 98 CA TRP A 8 -3.914 -3.585 2.829 1.00 1.00 C ATOM 99 C TRP A 8 -2.982 -3.689 4.028 1.00 1.00 C ATOM 100 O TRP A 8 -3.371 -4.122 5.113 1.00 1.00 O ATOM 101 CB TRP A 8 -4.103 -2.143 2.345 1.00 1.00 C ATOM 102 CG TRP A 8 -4.767 -2.069 1.010 1.00 1.00 C ATOM 103 CD1 TRP A 8 -6.057 -2.373 0.738 1.00 1.00 C ATOM 104 CD2 TRP A 8 -4.175 -1.743 -0.279 1.00 1.00 C ATOM 105 NE1 TRP A 8 -6.284 -2.273 -0.601 1.00 1.00 N ATOM 106 CE2 TRP A 8 -5.171 -1.877 -1.275 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.905 -1.334 -0.718 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.940 -1.636 -2.621 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.616 -1.197 -2.092 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.628 -1.371 -3.055 1.00 1.00 C ATOM 0 H TRP A 8 -5.591 -3.680 4.035 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.451 -4.165 2.031 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.699 -1.594 3.074 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -3.132 -1.651 2.292 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.797 -2.653 1.473 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -7.181 -2.471 -1.045 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -2.136 -1.121 0.009 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.757 -1.652 -3.327 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.611 -0.957 -2.407 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -3.401 -1.302 -4.109 1.00 1.00 H new ATOM 121 N GLU A 9 -1.729 -3.315 3.830 1.00 1.00 N ATOM 122 CA GLU A 9 -0.731 -3.111 4.858 1.00 1.00 C ATOM 123 C GLU A 9 0.181 -2.005 4.324 1.00 1.00 C ATOM 124 O GLU A 9 0.331 -1.876 3.103 1.00 1.00 O ATOM 125 CB GLU A 9 -0.004 -4.442 5.083 1.00 1.00 C ATOM 126 CG GLU A 9 0.954 -4.407 6.273 1.00 1.00 C ATOM 127 CD GLU A 9 1.414 -5.825 6.610 1.00 1.00 C ATOM 128 OE1 GLU A 9 2.352 -6.325 5.945 1.00 1.00 O ATOM 129 OE2 GLU A 9 0.785 -6.475 7.477 1.00 1.00 O ATOM 0 H GLU A 9 -1.364 -3.137 2.894 1.00 1.00 H new ATOM 0 HA GLU A 9 -1.134 -2.808 5.824 1.00 1.00 H new ATOM 0 HB2 GLU A 9 -0.741 -5.230 5.240 1.00 1.00 H new ATOM 0 HB3 GLU A 9 0.553 -4.702 4.183 1.00 1.00 H new ATOM 0 HG2 GLU A 9 1.815 -3.781 6.040 1.00 1.00 H new ATOM 0 HG3 GLU A 9 0.460 -3.960 7.136 1.00 1.00 H new ATOM 136 N LYS A 10 0.768 -1.173 5.193 1.00 1.00 N ATOM 137 CA LYS A 10 1.679 -0.126 4.727 1.00 1.00 C ATOM 138 C LYS A 10 3.053 -0.778 4.678 1.00 1.00 C ATOM 139 O LYS A 10 3.803 -0.762 5.658 1.00 1.00 O ATOM 140 CB LYS A 10 1.625 1.166 5.559 1.00 1.00 C ATOM 141 CG LYS A 10 0.244 1.656 6.023 1.00 1.00 C ATOM 142 CD LYS A 10 -0.979 1.393 5.130 1.00 1.00 C ATOM 143 CE LYS A 10 -2.172 2.255 5.552 1.00 1.00 C ATOM 144 NZ LYS A 10 -2.708 1.870 6.873 1.00 1.00 N ATOM 0 H LYS A 10 0.631 -1.204 6.203 1.00 1.00 H new ATOM 0 HA LYS A 10 1.386 0.236 3.741 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.245 1.022 6.444 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.085 1.962 4.974 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.045 1.205 6.995 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.312 2.733 6.179 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.725 1.603 4.091 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -1.252 0.339 5.184 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -1.869 3.302 5.577 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -2.961 2.169 4.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.513 2.483 7.113 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -3.023 0.879 6.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -1.965 1.976 7.593 1.00 1.00 H new ATOM 158 N ARG A 11 3.291 -1.506 3.592 1.00 1.00 N ATOM 159 CA ARG A 11 4.450 -2.366 3.423 1.00 1.00 C ATOM 160 C ARG A 11 5.612 -1.481 2.985 1.00 1.00 C ATOM 161 O ARG A 11 5.447 -0.278 2.802 1.00 1.00 O ATOM 162 CB ARG A 11 4.069 -3.485 2.439 1.00 1.00 C ATOM 163 CG ARG A 11 5.033 -4.682 2.443 1.00 1.00 C ATOM 164 CD ARG A 11 4.339 -6.012 2.787 1.00 1.00 C ATOM 165 NE ARG A 11 5.279 -7.147 2.833 1.00 1.00 N ATOM 166 CZ ARG A 11 6.308 -7.344 3.669 1.00 1.00 C ATOM 167 NH1 ARG A 11 6.529 -6.526 4.693 1.00 1.00 N ATOM 168 NH2 ARG A 11 7.136 -8.363 3.469 1.00 1.00 N ATOM 0 H ARG A 11 2.665 -1.512 2.786 1.00 1.00 H new ATOM 0 HA ARG A 11 4.769 -2.867 4.337 1.00 1.00 H new ATOM 0 HB2 ARG A 11 3.067 -3.839 2.679 1.00 1.00 H new ATOM 0 HB3 ARG A 11 4.027 -3.070 1.432 1.00 1.00 H new ATOM 0 HG2 ARG A 11 5.503 -4.766 1.463 1.00 1.00 H new ATOM 0 HG3 ARG A 11 5.830 -4.497 3.163 1.00 1.00 H new ATOM 0 HD2 ARG A 11 3.841 -5.919 3.752 1.00 1.00 H new ATOM 0 HD3 ARG A 11 3.565 -6.216 2.047 1.00 1.00 H new ATOM 0 HE ARG A 11 5.126 -7.878 2.138 1.00 1.00 H new ATOM 0 HH11 ARG A 11 5.910 -5.731 4.854 1.00 1.00 H new ATOM 0 HH12 ARG A 11 7.318 -6.693 5.318 1.00 1.00 H new ATOM 0 HH21 ARG A 11 6.988 -8.993 2.681 1.00 1.00 H new ATOM 0 HH22 ARG A 11 7.920 -8.515 4.104 1.00 1.00 H new ATOM 182 N MET A 12 6.809 -2.035 2.826 1.00 1.00 N ATOM 183 CA MET A 12 8.012 -1.251 2.571 1.00 1.00 C ATOM 184 C MET A 12 8.651 -1.769 1.294 1.00 1.00 C ATOM 185 O MET A 12 8.714 -2.985 1.090 1.00 1.00 O ATOM 186 CB MET A 12 8.929 -1.286 3.804 1.00 1.00 C ATOM 187 CG MET A 12 8.189 -0.649 4.987 1.00 1.00 C ATOM 188 SD MET A 12 9.119 -0.369 6.509 1.00 1.00 S ATOM 189 CE MET A 12 7.903 0.687 7.341 1.00 1.00 C ATOM 0 H MET A 12 6.973 -3.041 2.870 1.00 1.00 H new ATOM 0 HA MET A 12 7.787 -0.196 2.411 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.205 -2.314 4.040 1.00 1.00 H new ATOM 0 HB3 MET A 12 9.854 -0.746 3.602 1.00 1.00 H new ATOM 0 HG2 MET A 12 7.791 0.310 4.656 1.00 1.00 H new ATOM 0 HG3 MET A 12 7.335 -1.282 5.228 1.00 1.00 H new ATOM 0 HE1 MET A 12 8.284 0.980 8.319 1.00 1.00 H new ATOM 0 HE2 MET A 12 7.723 1.578 6.740 1.00 1.00 H new ATOM 0 HE3 MET A 12 6.969 0.139 7.465 1.00 1.00 H new ATOM 199 N SER A 13 9.072 -0.856 0.420 1.00 1.00 N ATOM 200 CA SER A 13 9.632 -1.152 -0.892 1.00 1.00 C ATOM 201 C SER A 13 11.059 -0.621 -0.923 1.00 1.00 C ATOM 202 O SER A 13 11.331 0.421 -0.315 1.00 1.00 O ATOM 203 CB SER A 13 8.766 -0.488 -1.973 1.00 1.00 C ATOM 204 OG SER A 13 9.157 -0.865 -3.277 1.00 1.00 O ATOM 0 H SER A 13 9.030 0.144 0.616 1.00 1.00 H new ATOM 0 HA SER A 13 9.644 -2.225 -1.084 1.00 1.00 H new ATOM 0 HB2 SER A 13 7.722 -0.759 -1.816 1.00 1.00 H new ATOM 0 HB3 SER A 13 8.833 0.595 -1.875 1.00 1.00 H new ATOM 0 HG SER A 13 8.579 -0.422 -3.933 1.00 1.00 H new ATOM 210 N ARG A 14 11.924 -1.293 -1.698 1.00 1.00 N ATOM 211 CA ARG A 14 13.334 -0.970 -1.927 1.00 1.00 C ATOM 212 C ARG A 14 13.990 -0.525 -0.631 1.00 1.00 C ATOM 213 O ARG A 14 14.250 0.663 -0.425 1.00 1.00 O ATOM 214 CB ARG A 14 13.532 -0.048 -3.148 1.00 1.00 C ATOM 215 CG ARG A 14 12.503 1.084 -3.315 1.00 1.00 C ATOM 216 CD ARG A 14 12.631 1.721 -4.700 1.00 1.00 C ATOM 217 NE ARG A 14 11.401 2.424 -5.085 1.00 1.00 N ATOM 218 CZ ARG A 14 11.039 3.669 -4.776 1.00 1.00 C ATOM 219 NH1 ARG A 14 11.821 4.455 -4.044 1.00 1.00 N ATOM 220 NH2 ARG A 14 9.864 4.101 -5.213 1.00 1.00 N ATOM 0 H ARG A 14 11.637 -2.126 -2.211 1.00 1.00 H new ATOM 0 HA ARG A 14 13.875 -1.870 -2.220 1.00 1.00 H new ATOM 0 HB2 ARG A 14 14.525 0.397 -3.084 1.00 1.00 H new ATOM 0 HB3 ARG A 14 13.515 -0.662 -4.048 1.00 1.00 H new ATOM 0 HG2 ARG A 14 11.495 0.691 -3.180 1.00 1.00 H new ATOM 0 HG3 ARG A 14 12.656 1.840 -2.545 1.00 1.00 H new ATOM 0 HD2 ARG A 14 13.467 2.420 -4.704 1.00 1.00 H new ATOM 0 HD3 ARG A 14 12.856 0.950 -5.437 1.00 1.00 H new ATOM 0 HE ARG A 14 10.744 1.896 -5.659 1.00 1.00 H new ATOM 0 HH11 ARG A 14 12.719 4.109 -3.706 1.00 1.00 H new ATOM 0 HH12 ARG A 14 11.523 5.404 -3.820 1.00 1.00 H new ATOM 0 HH21 ARG A 14 9.268 3.486 -5.767 1.00 1.00 H new ATOM 0 HH22 ARG A 14 9.556 5.048 -4.995 1.00 1.00 H new ATOM 234 N SER A 15 14.214 -1.503 0.246 1.00 1.00 N ATOM 235 CA SER A 15 14.447 -1.314 1.665 1.00 1.00 C ATOM 236 C SER A 15 13.255 -0.544 2.253 1.00 1.00 C ATOM 237 O SER A 15 12.208 -1.155 2.485 1.00 1.00 O ATOM 238 CB SER A 15 15.842 -0.708 1.903 1.00 1.00 C ATOM 239 OG SER A 15 16.832 -1.447 1.206 1.00 1.00 O ATOM 0 H SER A 15 14.238 -2.485 -0.030 1.00 1.00 H new ATOM 0 HA SER A 15 14.485 -2.258 2.209 1.00 1.00 H new ATOM 0 HB2 SER A 15 15.855 0.330 1.572 1.00 1.00 H new ATOM 0 HB3 SER A 15 16.066 -0.705 2.970 1.00 1.00 H new ATOM 0 HG SER A 15 17.712 -1.047 1.367 1.00 1.00 H new ATOM 245 N SER A 16 13.369 0.767 2.462 1.00 1.00 N ATOM 246 CA SER A 16 12.319 1.651 2.953 1.00 1.00 C ATOM 247 C SER A 16 12.264 2.927 2.101 1.00 1.00 C ATOM 248 O SER A 16 11.875 3.989 2.584 1.00 1.00 O ATOM 249 CB SER A 16 12.533 1.921 4.456 1.00 1.00 C ATOM 250 OG SER A 16 11.601 1.180 5.222 1.00 1.00 O ATOM 0 H SER A 16 14.242 1.264 2.284 1.00 1.00 H new ATOM 0 HA SER A 16 11.343 1.177 2.855 1.00 1.00 H new ATOM 0 HB2 SER A 16 13.549 1.647 4.741 1.00 1.00 H new ATOM 0 HB3 SER A 16 12.420 2.985 4.662 1.00 1.00 H new ATOM 0 HG SER A 16 11.746 1.357 6.175 1.00 1.00 H new ATOM 256 N GLY A 17 12.614 2.835 0.815 1.00 1.00 N ATOM 257 CA GLY A 17 12.524 3.955 -0.115 1.00 1.00 C ATOM 258 C GLY A 17 11.095 4.466 -0.274 1.00 1.00 C ATOM 259 O GLY A 17 10.904 5.633 -0.613 1.00 1.00 O ATOM 0 H GLY A 17 12.968 1.977 0.392 1.00 1.00 H new ATOM 0 HA2 GLY A 17 13.160 4.767 0.236 1.00 1.00 H new ATOM 0 HA3 GLY A 17 12.907 3.648 -1.088 1.00 1.00 H new ATOM 263 N ARG A 18 10.098 3.620 -0.011 1.00 1.00 N ATOM 264 CA ARG A 18 8.708 3.996 0.216 1.00 1.00 C ATOM 265 C ARG A 18 8.131 3.097 1.268 1.00 1.00 C ATOM 266 O ARG A 18 8.644 2.004 1.546 1.00 1.00 O ATOM 267 CB ARG A 18 7.871 3.824 -1.067 1.00 1.00 C ATOM 268 CG ARG A 18 8.013 4.938 -2.121 1.00 1.00 C ATOM 269 CD ARG A 18 6.969 6.059 -1.955 1.00 1.00 C ATOM 270 NE ARG A 18 7.347 7.072 -0.959 1.00 1.00 N ATOM 271 CZ ARG A 18 8.050 8.182 -1.222 1.00 1.00 C ATOM 272 NH1 ARG A 18 8.560 8.404 -2.429 1.00 1.00 N ATOM 273 NH2 ARG A 18 8.230 9.092 -0.278 1.00 1.00 N ATOM 0 H ARG A 18 10.247 2.613 0.052 1.00 1.00 H new ATOM 0 HA ARG A 18 8.680 5.041 0.525 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.144 2.876 -1.530 1.00 1.00 H new ATOM 0 HB3 ARG A 18 6.821 3.750 -0.785 1.00 1.00 H new ATOM 0 HG2 ARG A 18 9.013 5.367 -2.056 1.00 1.00 H new ATOM 0 HG3 ARG A 18 7.917 4.504 -3.116 1.00 1.00 H new ATOM 0 HD2 ARG A 18 6.816 6.547 -2.918 1.00 1.00 H new ATOM 0 HD3 ARG A 18 6.015 5.616 -1.667 1.00 1.00 H new ATOM 0 HE ARG A 18 7.052 6.918 0.005 1.00 1.00 H new ATOM 0 HH11 ARG A 18 8.419 7.723 -3.175 1.00 1.00 H new ATOM 0 HH12 ARG A 18 9.092 9.255 -2.609 1.00 1.00 H new ATOM 0 HH21 ARG A 18 7.833 8.949 0.651 1.00 1.00 H new ATOM 0 HH22 ARG A 18 8.765 9.937 -0.479 1.00 1.00 H new ATOM 287 N VAL A 19 6.975 3.535 1.733 1.00 1.00 N ATOM 288 CA VAL A 19 6.027 2.748 2.464 1.00 1.00 C ATOM 289 C VAL A 19 4.839 2.577 1.515 1.00 1.00 C ATOM 290 O VAL A 19 3.768 3.154 1.695 1.00 1.00 O ATOM 291 CB VAL A 19 5.839 3.408 3.842 1.00 1.00 C ATOM 292 CG1 VAL A 19 4.887 4.608 3.933 1.00 1.00 C ATOM 293 CG2 VAL A 19 5.401 2.351 4.864 1.00 1.00 C ATOM 0 H VAL A 19 6.667 4.498 1.599 1.00 1.00 H new ATOM 0 HA VAL A 19 6.305 1.731 2.740 1.00 1.00 H new ATOM 0 HB VAL A 19 6.822 3.829 4.055 1.00 1.00 H new ATOM 0 HG11 VAL A 19 4.854 4.969 4.961 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.243 5.405 3.280 1.00 1.00 H new ATOM 0 HG13 VAL A 19 3.887 4.304 3.623 1.00 1.00 H new ATOM 0 HG21 VAL A 19 5.269 2.820 5.839 1.00 1.00 H new ATOM 0 HG22 VAL A 19 4.459 1.905 4.545 1.00 1.00 H new ATOM 0 HG23 VAL A 19 6.164 1.576 4.935 1.00 1.00 H new ATOM 303 N TYR A 20 5.075 1.897 0.385 1.00 1.00 N ATOM 304 CA TYR A 20 4.011 1.622 -0.572 1.00 1.00 C ATOM 305 C TYR A 20 2.930 0.815 0.143 1.00 1.00 C ATOM 306 O TYR A 20 3.202 -0.100 0.924 1.00 1.00 O ATOM 307 CB TYR A 20 4.519 0.972 -1.877 1.00 1.00 C ATOM 308 CG TYR A 20 5.039 -0.456 -1.885 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.443 -1.116 -0.716 1.00 1.00 C ATOM 310 CD2 TYR A 20 5.142 -1.133 -3.109 1.00 1.00 C ATOM 311 CE1 TYR A 20 5.905 -2.447 -0.747 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.571 -2.467 -3.147 1.00 1.00 C ATOM 313 CZ TYR A 20 5.981 -3.130 -1.978 1.00 1.00 C ATOM 314 OH TYR A 20 6.475 -4.397 -2.071 1.00 1.00 O ATOM 0 H TYR A 20 5.989 1.532 0.118 1.00 1.00 H new ATOM 0 HA TYR A 20 3.578 2.561 -0.917 1.00 1.00 H new ATOM 0 HB2 TYR A 20 3.702 1.019 -2.597 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.319 1.606 -2.260 1.00 1.00 H new ATOM 0 HD1 TYR A 20 5.399 -0.593 0.228 1.00 1.00 H new ATOM 0 HD2 TYR A 20 4.889 -0.624 -4.027 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.199 -2.941 0.167 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.587 -2.994 -4.090 1.00 1.00 H new ATOM 0 HH TYR A 20 6.442 -4.693 -3.005 1.00 1.00 H new ATOM 324 N TYR A 21 1.680 1.195 -0.052 1.00 1.00 N ATOM 325 CA TYR A 21 0.604 0.416 0.525 1.00 1.00 C ATOM 326 C TYR A 21 0.518 -0.819 -0.356 1.00 1.00 C ATOM 327 O TYR A 21 0.661 -0.688 -1.570 1.00 1.00 O ATOM 328 CB TYR A 21 -0.661 1.269 0.592 1.00 1.00 C ATOM 329 CG TYR A 21 -0.607 2.427 1.579 1.00 1.00 C ATOM 330 CD1 TYR A 21 0.575 2.833 2.222 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.801 3.072 1.923 1.00 1.00 C ATOM 332 CE1 TYR A 21 0.557 3.893 3.123 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.843 4.068 2.919 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.649 4.486 3.522 1.00 1.00 C ATOM 335 OH TYR A 21 -0.678 5.372 4.547 1.00 1.00 O ATOM 0 H TYR A 21 1.392 2.013 -0.589 1.00 1.00 H new ATOM 0 HA TYR A 21 0.761 0.103 1.557 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -0.865 1.668 -0.402 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -1.501 0.626 0.856 1.00 1.00 H new ATOM 0 HD1 TYR A 21 1.502 2.319 2.016 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -2.713 2.799 1.412 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.489 4.266 3.522 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.786 4.505 3.215 1.00 1.00 H new ATOM 0 HH TYR A 21 -1.597 5.683 4.685 1.00 1.00 H new ATOM 345 N PHE A 22 0.338 -2.001 0.225 1.00 1.00 N ATOM 346 CA PHE A 22 0.275 -3.257 -0.507 1.00 1.00 C ATOM 347 C PHE A 22 -0.991 -4.002 -0.081 1.00 1.00 C ATOM 348 O PHE A 22 -1.197 -4.266 1.105 1.00 1.00 O ATOM 349 CB PHE A 22 1.580 -4.048 -0.323 1.00 1.00 C ATOM 350 CG PHE A 22 1.471 -5.520 -0.670 1.00 1.00 C ATOM 351 CD1 PHE A 22 1.680 -5.950 -1.990 1.00 1.00 C ATOM 352 CD2 PHE A 22 1.136 -6.460 0.324 1.00 1.00 C ATOM 353 CE1 PHE A 22 1.546 -7.307 -2.318 1.00 1.00 C ATOM 354 CE2 PHE A 22 0.995 -7.819 -0.004 1.00 1.00 C ATOM 355 CZ PHE A 22 1.186 -8.243 -1.331 1.00 1.00 C ATOM 0 H PHE A 22 0.230 -2.113 1.233 1.00 1.00 H new ATOM 0 HA PHE A 22 0.198 -3.092 -1.582 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.355 -3.597 -0.943 1.00 1.00 H new ATOM 0 HB3 PHE A 22 1.905 -3.954 0.713 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.945 -5.234 -2.754 1.00 1.00 H new ATOM 0 HD2 PHE A 22 0.987 -6.135 1.343 1.00 1.00 H new ATOM 0 HE1 PHE A 22 1.720 -7.635 -3.332 1.00 1.00 H new ATOM 0 HE2 PHE A 22 0.740 -8.537 0.762 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.057 -9.283 -1.592 1.00 1.00 H new ATOM 365 N ASN A 23 -1.866 -4.271 -1.047 1.00 1.00 N ATOM 366 CA ASN A 23 -3.085 -5.056 -0.918 1.00 1.00 C ATOM 367 C ASN A 23 -2.652 -6.485 -0.847 1.00 1.00 C ATOM 368 O ASN A 23 -1.962 -7.015 -1.715 1.00 1.00 O ATOM 369 CB ASN A 23 -3.949 -4.949 -2.161 1.00 1.00 C ATOM 370 CG ASN A 23 -5.456 -5.171 -2.087 1.00 1.00 C ATOM 371 OD1 ASN A 23 -6.168 -4.801 -3.011 1.00 1.00 O ATOM 372 ND2 ASN A 23 -6.022 -5.751 -1.050 1.00 1.00 N ATOM 0 H ASN A 23 -1.732 -3.925 -1.997 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.647 -4.707 -0.051 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -3.792 -3.953 -2.575 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.556 -5.661 -2.886 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -7.033 -5.884 -1.029 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -5.450 -6.068 -0.268 1.00 1.00 H new ATOM 379 N HIS A 24 -3.151 -7.112 0.174 1.00 1.00 N ATOM 380 CA HIS A 24 -2.751 -8.438 0.577 1.00 1.00 C ATOM 381 C HIS A 24 -3.688 -9.517 0.045 1.00 1.00 C ATOM 382 O HIS A 24 -3.630 -10.671 0.471 1.00 1.00 O ATOM 383 CB HIS A 24 -2.586 -8.405 2.103 1.00 1.00 C ATOM 384 CG HIS A 24 -3.787 -8.131 2.977 1.00 1.00 C ATOM 385 ND1 HIS A 24 -3.889 -7.103 3.894 1.00 1.00 N ATOM 386 CD2 HIS A 24 -4.923 -8.889 3.089 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.083 -7.204 4.494 1.00 1.00 C ATOM 388 NE2 HIS A 24 -5.752 -8.268 4.025 1.00 1.00 N ATOM 0 H HIS A 24 -3.871 -6.708 0.773 1.00 1.00 H new ATOM 0 HA HIS A 24 -1.797 -8.722 0.132 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.174 -9.367 2.407 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -1.835 -7.649 2.334 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.138 -9.801 2.551 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -5.454 -6.525 5.248 1.00 1.00 H new ATOM 0 HE2 HIS A 24 -6.688 -8.566 4.300 1.00 1.00 H new ATOM 396 N ILE A 25 -4.545 -9.120 -0.889 1.00 1.00 N ATOM 397 CA ILE A 25 -5.683 -9.861 -1.392 1.00 1.00 C ATOM 398 C ILE A 25 -5.414 -10.052 -2.866 1.00 1.00 C ATOM 399 O ILE A 25 -5.225 -11.179 -3.315 1.00 1.00 O ATOM 400 CB ILE A 25 -6.991 -9.130 -1.015 1.00 1.00 C ATOM 401 CG1 ILE A 25 -6.989 -8.904 0.518 1.00 1.00 C ATOM 402 CG2 ILE A 25 -8.207 -9.938 -1.484 1.00 1.00 C ATOM 403 CD1 ILE A 25 -8.157 -8.125 1.088 1.00 1.00 C ATOM 0 H ILE A 25 -4.452 -8.211 -1.341 1.00 1.00 H new ATOM 0 HA ILE A 25 -5.818 -10.848 -0.950 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.053 -8.162 -1.513 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -6.958 -9.878 1.006 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -6.069 -8.384 0.785 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.121 -9.411 -1.211 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.167 -10.060 -2.566 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.198 -10.918 -1.008 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.041 -8.034 2.168 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -8.184 -7.131 0.641 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -9.087 -8.649 0.866 1.00 1.00 H new ATOM 415 N THR A 26 -5.293 -8.954 -3.604 1.00 1.00 N ATOM 416 CA THR A 26 -5.042 -9.022 -5.028 1.00 1.00 C ATOM 417 C THR A 26 -3.545 -9.120 -5.333 1.00 1.00 C ATOM 418 O THR A 26 -3.170 -9.557 -6.419 1.00 1.00 O ATOM 419 CB THR A 26 -5.757 -7.842 -5.697 1.00 1.00 C ATOM 420 OG1 THR A 26 -5.120 -6.629 -5.360 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.216 -7.772 -5.209 1.00 1.00 C ATOM 0 H THR A 26 -5.366 -8.007 -3.233 1.00 1.00 H new ATOM 0 HA THR A 26 -5.454 -9.938 -5.452 1.00 1.00 H new ATOM 0 HB THR A 26 -5.725 -7.990 -6.776 1.00 1.00 H new ATOM 0 HG1 THR A 26 -5.592 -6.209 -4.611 1.00 1.00 H new ATOM 0 HG21 THR A 26 -7.720 -6.932 -5.687 1.00 1.00 H new ATOM 0 HG22 THR A 26 -7.731 -8.698 -5.466 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.232 -7.637 -4.128 1.00 1.00 H new ATOM 429 N ASN A 27 -2.706 -8.820 -4.333 1.00 1.00 N ATOM 430 CA ASN A 27 -1.274 -8.534 -4.438 1.00 1.00 C ATOM 431 C ASN A 27 -1.074 -7.427 -5.471 1.00 1.00 C ATOM 432 O ASN A 27 -0.877 -7.664 -6.662 1.00 1.00 O ATOM 433 CB ASN A 27 -0.465 -9.822 -4.626 1.00 1.00 C ATOM 434 CG ASN A 27 1.024 -9.628 -4.933 1.00 1.00 C ATOM 435 OD1 ASN A 27 1.465 -8.764 -5.682 1.00 1.00 O ATOM 436 ND2 ASN A 27 1.886 -10.435 -4.353 1.00 1.00 N ATOM 0 H ASN A 27 -3.033 -8.768 -3.368 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.866 -8.137 -3.509 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -0.556 -10.423 -3.721 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -0.913 -10.397 -5.437 1.00 1.00 H new ATOM 0 HD21 ASN A 27 2.884 -10.329 -4.533 1.00 1.00 H new ATOM 0 HD22 ASN A 27 1.556 -11.166 -3.723 1.00 1.00 H new ATOM 443 N ALA A 28 -1.182 -6.190 -4.996 1.00 1.00 N ATOM 444 CA ALA A 28 -0.935 -4.958 -5.728 1.00 1.00 C ATOM 445 C ALA A 28 -0.316 -3.972 -4.751 1.00 1.00 C ATOM 446 O ALA A 28 -0.460 -4.159 -3.539 1.00 1.00 O ATOM 447 CB ALA A 28 -2.256 -4.395 -6.257 1.00 1.00 C ATOM 0 H ALA A 28 -1.461 -6.013 -4.031 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.273 -5.137 -6.575 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.065 -3.472 -6.805 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -2.721 -5.122 -6.923 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -2.925 -4.189 -5.421 1.00 1.00 H new ATOM 453 N SER A 29 0.317 -2.907 -5.237 1.00 1.00 N ATOM 454 CA SER A 29 0.851 -1.875 -4.357 1.00 1.00 C ATOM 455 C SER A 29 0.730 -0.475 -4.951 1.00 1.00 C ATOM 456 O SER A 29 0.622 -0.343 -6.171 1.00 1.00 O ATOM 457 CB SER A 29 2.286 -2.214 -3.967 1.00 1.00 C ATOM 458 OG SER A 29 3.061 -2.549 -5.108 1.00 1.00 O ATOM 0 H SER A 29 0.471 -2.738 -6.231 1.00 1.00 H new ATOM 0 HA SER A 29 0.243 -1.860 -3.452 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.737 -1.364 -3.454 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.288 -3.048 -3.265 1.00 1.00 H new ATOM 0 HG SER A 29 4.014 -2.491 -4.885 1.00 1.00 H new ATOM 464 N GLN A 30 0.716 0.564 -4.107 1.00 1.00 N ATOM 465 CA GLN A 30 0.175 1.879 -4.475 1.00 1.00 C ATOM 466 C GLN A 30 0.617 2.972 -3.488 1.00 1.00 C ATOM 467 O GLN A 30 1.281 2.700 -2.485 1.00 1.00 O ATOM 468 CB GLN A 30 -1.373 1.798 -4.540 1.00 1.00 C ATOM 469 CG GLN A 30 -1.919 1.685 -5.974 1.00 1.00 C ATOM 470 CD GLN A 30 -3.432 1.484 -5.983 1.00 1.00 C ATOM 471 OE1 GLN A 30 -3.929 0.368 -5.922 1.00 1.00 O ATOM 472 NE2 GLN A 30 -4.224 2.540 -5.999 1.00 1.00 N ATOM 0 H GLN A 30 1.077 0.518 -3.154 1.00 1.00 H new ATOM 0 HA GLN A 30 0.569 2.151 -5.454 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -1.709 0.937 -3.962 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -1.796 2.684 -4.067 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -1.668 2.587 -6.532 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -1.437 0.850 -6.483 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -3.824 3.477 -6.050 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -5.236 2.419 -5.961 1.00 1.00 H new ATOM 481 N TRP A 31 0.220 4.215 -3.786 1.00 1.00 N ATOM 482 CA TRP A 31 0.720 5.454 -3.181 1.00 1.00 C ATOM 483 C TRP A 31 -0.361 6.283 -2.479 1.00 1.00 C ATOM 484 O TRP A 31 -0.072 7.260 -1.787 1.00 1.00 O ATOM 485 CB TRP A 31 1.308 6.290 -4.320 1.00 1.00 C ATOM 486 CG TRP A 31 2.205 5.538 -5.256 1.00 1.00 C ATOM 487 CD1 TRP A 31 1.974 5.321 -6.571 1.00 1.00 C ATOM 488 CD2 TRP A 31 3.420 4.803 -4.941 1.00 1.00 C ATOM 489 NE1 TRP A 31 2.976 4.525 -7.088 1.00 1.00 N ATOM 490 CE2 TRP A 31 3.906 4.192 -6.132 1.00 1.00 C ATOM 491 CE3 TRP A 31 4.148 4.572 -3.759 1.00 1.00 C ATOM 492 CZ2 TRP A 31 5.076 3.420 -6.160 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.302 3.775 -3.775 1.00 1.00 C ATOM 494 CH2 TRP A 31 5.783 3.210 -4.967 1.00 1.00 C ATOM 0 H TRP A 31 -0.495 4.392 -4.492 1.00 1.00 H new ATOM 0 HA TRP A 31 1.447 5.188 -2.414 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.489 6.723 -4.894 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.869 7.120 -3.890 1.00 1.00 H new ATOM 0 HD1 TRP A 31 1.136 5.710 -7.130 1.00 1.00 H new ATOM 0 HE1 TRP A 31 3.021 4.221 -8.061 1.00 1.00 H new ATOM 0 HE3 TRP A 31 3.815 5.013 -2.831 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.428 2.993 -7.087 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 5.831 3.592 -2.852 1.00 1.00 H new ATOM 0 HH2 TRP A 31 6.688 2.620 -4.965 1.00 1.00 H new ATOM 505 N GLU A 32 -1.610 5.918 -2.717 1.00 1.00 N ATOM 506 CA GLU A 32 -2.852 6.469 -2.176 1.00 1.00 C ATOM 507 C GLU A 32 -3.035 6.019 -0.713 1.00 1.00 C ATOM 508 O GLU A 32 -2.118 5.420 -0.142 1.00 1.00 O ATOM 509 CB GLU A 32 -3.966 6.013 -3.139 1.00 1.00 C ATOM 510 CG GLU A 32 -3.769 6.628 -4.534 1.00 1.00 C ATOM 511 CD GLU A 32 -4.858 6.223 -5.522 1.00 1.00 C ATOM 512 OE1 GLU A 32 -5.929 6.862 -5.516 1.00 1.00 O ATOM 513 OE2 GLU A 32 -4.622 5.300 -6.340 1.00 1.00 O ATOM 0 H GLU A 32 -1.804 5.150 -3.359 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.861 7.558 -2.125 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.966 4.926 -3.213 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.938 6.305 -2.742 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.751 7.714 -4.447 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.799 6.323 -4.926 1.00 1.00 H new ATOM 520 N ARG A 33 -4.193 6.271 -0.081 1.00 1.00 N ATOM 521 CA ARG A 33 -4.484 5.771 1.281 1.00 1.00 C ATOM 522 C ARG A 33 -5.895 5.169 1.450 1.00 1.00 C ATOM 523 O ARG A 33 -6.846 5.826 1.020 1.00 1.00 O ATOM 524 CB ARG A 33 -4.187 6.877 2.313 1.00 1.00 C ATOM 525 CG ARG A 33 -5.108 8.105 2.243 1.00 1.00 C ATOM 526 CD ARG A 33 -4.759 9.157 3.296 1.00 1.00 C ATOM 527 NE ARG A 33 -3.559 9.938 2.963 1.00 1.00 N ATOM 528 CZ ARG A 33 -2.970 10.811 3.789 1.00 1.00 C ATOM 529 NH1 ARG A 33 -3.502 11.089 4.976 1.00 1.00 N ATOM 530 NH2 ARG A 33 -1.837 11.388 3.419 1.00 1.00 N ATOM 0 H ARG A 33 -4.949 6.820 -0.490 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.818 4.927 1.460 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -4.257 6.447 3.312 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -3.157 7.208 2.180 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -5.039 8.551 1.251 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -6.142 7.788 2.379 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -5.604 9.835 3.416 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -4.608 8.664 4.256 1.00 1.00 H new ATOM 0 HE ARG A 33 -3.147 9.806 2.039 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -4.368 10.635 5.266 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -3.044 11.756 5.597 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -1.423 11.165 2.514 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -1.378 12.055 4.039 1.00 1.00 H new ATOM 544 N PRO A 34 -6.082 3.954 2.026 1.00 1.00 N ATOM 545 CA PRO A 34 -7.403 3.452 2.372 1.00 1.00 C ATOM 546 C PRO A 34 -7.786 3.899 3.774 1.00 1.00 C ATOM 547 O PRO A 34 -6.913 4.192 4.601 1.00 1.00 O ATOM 548 CB PRO A 34 -7.306 1.939 2.246 1.00 1.00 C ATOM 549 CG PRO A 34 -5.860 1.569 2.492 1.00 1.00 C ATOM 550 CD PRO A 34 -5.119 2.866 2.189 1.00 1.00 C ATOM 0 HA PRO A 34 -8.185 3.838 1.719 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -7.958 1.449 2.969 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.625 1.613 1.256 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.696 1.241 3.518 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.535 0.757 1.842 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.426 3.098 2.998 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.525 2.754 1.282 1.00 1.00 H new ATOM 558 N SER A 35 -9.089 3.930 4.039 1.00 1.00 N ATOM 559 CA SER A 35 -9.640 4.527 5.247 1.00 1.00 C ATOM 560 C SER A 35 -10.812 3.709 5.812 1.00 1.00 C ATOM 561 O SER A 35 -11.416 4.140 6.800 1.00 1.00 O ATOM 562 CB SER A 35 -10.019 5.981 4.929 1.00 1.00 C ATOM 563 OG SER A 35 -8.902 6.690 4.403 1.00 1.00 O ATOM 0 H SER A 35 -9.795 3.538 3.416 1.00 1.00 H new ATOM 0 HA SER A 35 -8.892 4.522 6.040 1.00 1.00 H new ATOM 0 HB2 SER A 35 -10.838 5.999 4.211 1.00 1.00 H new ATOM 0 HB3 SER A 35 -10.376 6.475 5.833 1.00 1.00 H new ATOM 0 HG SER A 35 -9.164 7.613 4.205 1.00 1.00 H new ATOM 569 N GLY A 36 -11.128 2.537 5.242 1.00 1.00 N ATOM 570 CA GLY A 36 -11.933 1.530 5.918 1.00 1.00 C ATOM 571 C GLY A 36 -11.124 0.972 7.071 1.00 1.00 C ATOM 572 O GLY A 36 -9.944 0.636 6.851 1.00 1.00 O ATOM 573 OXT GLY A 36 -11.641 0.963 8.210 1.00 1.00 O ATOM 0 H GLY A 36 -10.831 2.269 4.304 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -12.862 1.968 6.283 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.206 0.734 5.225 1.00 1.00 H new