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= 1.82 K(o=1.8,f=-14!) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= -0.0169 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 -166:sc= -0.0184 (180deg=-0.248) 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 -160: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= -2.64 K(o=-2.6,f=-0.76) USER MOD Single : A 27 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.063) USER MOD Single : A 29 SER OG : rot 141:sc= 0.378 USER MOD Single : A 30 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.18) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LYS A 3 -10.027 5.025 -3.887 1.00 1.00 N ATOM 22 CA LYS A 3 -8.654 5.026 -4.374 1.00 1.00 C ATOM 23 C LYS A 3 -7.943 3.775 -3.886 1.00 1.00 C ATOM 24 O LYS A 3 -7.368 3.051 -4.698 1.00 1.00 O ATOM 25 CB LYS A 3 -7.901 6.308 -3.963 1.00 1.00 C ATOM 26 CG LYS A 3 -8.724 7.609 -4.036 1.00 1.00 C ATOM 27 CD LYS A 3 -9.265 7.997 -2.647 1.00 1.00 C ATOM 28 CE LYS A 3 -10.319 9.109 -2.653 1.00 1.00 C ATOM 29 NZ LYS A 3 -9.877 10.331 -3.350 1.00 1.00 N ATOM 0 HA LYS A 3 -8.670 5.018 -5.464 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -7.538 6.185 -2.943 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.025 6.416 -4.603 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.103 8.415 -4.427 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.554 7.480 -4.731 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -9.695 7.111 -2.180 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.429 8.312 -2.023 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.227 8.737 -3.128 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.578 9.360 -1.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -10.635 11.042 -3.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.028 10.709 -2.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.656 10.105 -4.341 1.00 1.00 H new ATOM 43 N LEU A 4 -7.993 3.500 -2.583 1.00 1.00 N ATOM 44 CA LEU A 4 -7.353 2.354 -1.960 1.00 1.00 C ATOM 45 C LEU A 4 -8.438 1.619 -1.138 1.00 1.00 C ATOM 46 O LEU A 4 -9.055 2.258 -0.280 1.00 1.00 O ATOM 47 CB LEU A 4 -6.088 2.830 -1.193 1.00 1.00 C ATOM 48 CG LEU A 4 -4.818 2.032 -1.558 1.00 1.00 C ATOM 49 CD1 LEU A 4 -4.430 2.242 -3.015 1.00 1.00 C ATOM 50 CD2 LEU A 4 -3.542 2.364 -0.758 1.00 1.00 C ATOM 0 H LEU A 4 -8.495 4.088 -1.918 1.00 1.00 H new ATOM 0 HA LEU A 4 -6.965 1.620 -2.666 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.919 3.886 -1.404 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.267 2.744 -0.121 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.122 1.012 -1.321 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -3.532 1.666 -3.239 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.244 1.910 -3.660 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.236 3.300 -3.191 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -2.721 1.738 -1.107 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.285 3.413 -0.902 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.717 2.175 0.301 1.00 1.00 H new ATOM 62 N PRO A 5 -8.774 0.352 -1.465 1.00 1.00 N ATOM 63 CA PRO A 5 -9.868 -0.407 -0.848 1.00 1.00 C ATOM 64 C PRO A 5 -9.560 -0.804 0.599 1.00 1.00 C ATOM 65 O PRO A 5 -8.447 -0.584 1.057 1.00 1.00 O ATOM 66 CB PRO A 5 -10.048 -1.658 -1.722 1.00 1.00 C ATOM 67 CG PRO A 5 -8.794 -1.798 -2.568 1.00 1.00 C ATOM 68 CD PRO A 5 -8.177 -0.404 -2.551 1.00 1.00 C ATOM 0 HA PRO A 5 -10.772 0.199 -0.799 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.195 -2.543 -1.102 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -10.930 -1.562 -2.355 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.113 -2.540 -2.152 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.031 -2.117 -3.583 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.097 -0.470 -2.418 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.351 0.099 -3.502 1.00 1.00 H new ATOM 76 N PRO A 6 -10.473 -1.452 1.338 1.00 1.00 N ATOM 77 CA PRO A 6 -10.091 -2.116 2.579 1.00 1.00 C ATOM 78 C PRO A 6 -9.117 -3.273 2.286 1.00 1.00 C ATOM 79 O PRO A 6 -9.059 -3.765 1.156 1.00 1.00 O ATOM 80 CB PRO A 6 -11.411 -2.602 3.181 1.00 1.00 C ATOM 81 CG PRO A 6 -12.311 -2.815 1.967 1.00 1.00 C ATOM 82 CD PRO A 6 -11.861 -1.723 1.003 1.00 1.00 C ATOM 0 HA PRO A 6 -9.564 -1.460 3.272 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -11.277 -3.525 3.746 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -11.832 -1.867 3.867 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.181 -3.809 1.539 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -13.365 -2.715 2.225 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -11.957 -2.050 -0.032 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -12.473 -0.827 1.112 1.00 1.00 H new ATOM 90 N GLY A 7 -8.372 -3.735 3.295 1.00 1.00 N ATOM 91 CA GLY A 7 -7.538 -4.933 3.183 1.00 1.00 C ATOM 92 C GLY A 7 -6.116 -4.655 2.678 1.00 1.00 C ATOM 93 O GLY A 7 -5.680 -5.221 1.677 1.00 1.00 O ATOM 0 H GLY A 7 -8.331 -3.289 4.211 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.479 -5.415 4.159 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -8.022 -5.639 2.508 1.00 1.00 H new ATOM 97 N TRP A 8 -5.359 -3.810 3.382 1.00 1.00 N ATOM 98 CA TRP A 8 -4.030 -3.356 2.989 1.00 1.00 C ATOM 99 C TRP A 8 -3.075 -3.382 4.177 1.00 1.00 C ATOM 100 O TRP A 8 -3.497 -3.277 5.328 1.00 1.00 O ATOM 101 CB TRP A 8 -4.161 -1.933 2.450 1.00 1.00 C ATOM 102 CG TRP A 8 -4.707 -1.827 1.062 1.00 1.00 C ATOM 103 CD1 TRP A 8 -5.987 -2.036 0.691 1.00 1.00 C ATOM 104 CD2 TRP A 8 -4.005 -1.503 -0.175 1.00 1.00 C ATOM 105 NE1 TRP A 8 -6.123 -1.807 -0.646 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.924 -1.559 -1.257 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.684 -1.160 -0.497 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.549 -1.344 -2.588 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.285 -0.939 -1.829 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.207 -1.060 -2.881 1.00 1.00 C ATOM 0 H TRP A 8 -5.667 -3.412 4.269 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.623 -4.018 2.225 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.805 -1.365 3.121 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -3.179 -1.460 2.474 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.784 -2.339 1.354 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -7.018 -1.819 -1.136 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -1.956 -1.063 0.295 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.283 -1.396 -3.379 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.260 -0.674 -2.044 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -2.886 -0.936 -3.905 1.00 1.00 H new ATOM 121 N GLU A 9 -1.781 -3.434 3.891 1.00 1.00 N ATOM 122 CA GLU A 9 -0.676 -3.293 4.817 1.00 1.00 C ATOM 123 C GLU A 9 0.242 -2.225 4.213 1.00 1.00 C ATOM 124 O GLU A 9 0.142 -1.908 3.024 1.00 1.00 O ATOM 125 CB GLU A 9 0.019 -4.654 4.989 1.00 1.00 C ATOM 126 CG GLU A 9 0.907 -4.676 6.239 1.00 1.00 C ATOM 127 CD GLU A 9 1.662 -5.991 6.392 1.00 1.00 C ATOM 128 OE1 GLU A 9 1.040 -7.044 6.639 1.00 1.00 O ATOM 129 OE2 GLU A 9 2.911 -5.965 6.266 1.00 1.00 O ATOM 0 H GLU A 9 -1.458 -3.587 2.936 1.00 1.00 H new ATOM 0 HA GLU A 9 -0.988 -2.984 5.815 1.00 1.00 H new ATOM 0 HB2 GLU A 9 -0.732 -5.441 5.061 1.00 1.00 H new ATOM 0 HB3 GLU A 9 0.623 -4.869 4.108 1.00 1.00 H new ATOM 0 HG2 GLU A 9 1.621 -3.854 6.189 1.00 1.00 H new ATOM 0 HG3 GLU A 9 0.291 -4.509 7.122 1.00 1.00 H new ATOM 136 N LYS A 10 1.113 -1.614 5.012 1.00 1.00 N ATOM 137 CA LYS A 10 2.004 -0.560 4.548 1.00 1.00 C ATOM 138 C LYS A 10 3.340 -1.272 4.396 1.00 1.00 C ATOM 139 O LYS A 10 3.921 -1.682 5.405 1.00 1.00 O ATOM 140 CB LYS A 10 2.014 0.647 5.506 1.00 1.00 C ATOM 141 CG LYS A 10 0.659 1.133 6.074 1.00 1.00 C ATOM 142 CD LYS A 10 -0.614 0.848 5.259 1.00 1.00 C ATOM 143 CE LYS A 10 -1.821 1.697 5.658 1.00 1.00 C ATOM 144 NZ LYS A 10 -2.321 1.342 7.002 1.00 1.00 N ATOM 0 H LYS A 10 1.219 -1.838 6.001 1.00 1.00 H new ATOM 0 HA LYS A 10 1.699 -0.102 3.607 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.660 0.400 6.348 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.477 1.484 4.984 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.531 0.685 7.059 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.727 2.211 6.220 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.400 1.015 4.203 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -0.873 -0.205 5.369 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -1.546 2.752 5.639 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -2.618 1.563 4.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.139 1.939 7.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -2.607 0.342 7.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -1.569 1.494 7.704 1.00 1.00 H new ATOM 158 N ARG A 11 3.752 -1.583 3.165 1.00 1.00 N ATOM 159 CA ARG A 11 5.018 -2.275 2.943 1.00 1.00 C ATOM 160 C ARG A 11 6.075 -1.233 2.669 1.00 1.00 C ATOM 161 O ARG A 11 5.787 -0.180 2.117 1.00 1.00 O ATOM 162 CB ARG A 11 4.950 -3.268 1.777 1.00 1.00 C ATOM 163 CG ARG A 11 4.395 -4.642 2.187 1.00 1.00 C ATOM 164 CD ARG A 11 4.710 -5.665 1.089 1.00 1.00 C ATOM 165 NE ARG A 11 4.258 -7.019 1.438 1.00 1.00 N ATOM 166 CZ ARG A 11 4.294 -8.087 0.631 1.00 1.00 C ATOM 167 NH1 ARG A 11 4.775 -7.996 -0.603 1.00 1.00 N ATOM 168 NH2 ARG A 11 3.866 -9.263 1.068 1.00 1.00 N ATOM 0 H ARG A 11 3.231 -1.368 2.315 1.00 1.00 H new ATOM 0 HA ARG A 11 5.256 -2.857 3.833 1.00 1.00 H new ATOM 0 HB2 ARG A 11 4.324 -2.851 0.988 1.00 1.00 H new ATOM 0 HB3 ARG A 11 5.948 -3.396 1.358 1.00 1.00 H new ATOM 0 HG2 ARG A 11 4.837 -4.958 3.132 1.00 1.00 H new ATOM 0 HG3 ARG A 11 3.318 -4.580 2.344 1.00 1.00 H new ATOM 0 HD2 ARG A 11 4.233 -5.354 0.159 1.00 1.00 H new ATOM 0 HD3 ARG A 11 5.785 -5.679 0.907 1.00 1.00 H new ATOM 0 HE ARG A 11 3.884 -7.157 2.377 1.00 1.00 H new ATOM 0 HH11 ARG A 11 5.125 -7.103 -0.950 1.00 1.00 H new ATOM 0 HH12 ARG A 11 4.795 -8.819 -1.205 1.00 1.00 H new ATOM 0 HH21 ARG A 11 3.509 -9.355 2.019 1.00 1.00 H new ATOM 0 HH22 ARG A 11 3.893 -10.076 0.453 1.00 1.00 H new ATOM 182 N MET A 12 7.315 -1.548 3.000 1.00 1.00 N ATOM 183 CA MET A 12 8.469 -0.805 2.530 1.00 1.00 C ATOM 184 C MET A 12 8.854 -1.386 1.161 1.00 1.00 C ATOM 185 O MET A 12 8.596 -2.568 0.917 1.00 1.00 O ATOM 186 CB MET A 12 9.572 -0.916 3.596 1.00 1.00 C ATOM 187 CG MET A 12 10.523 0.283 3.591 1.00 1.00 C ATOM 188 SD MET A 12 11.702 0.320 4.977 1.00 1.00 S ATOM 189 CE MET A 12 10.603 0.550 6.407 1.00 1.00 C ATOM 0 H MET A 12 7.550 -2.333 3.607 1.00 1.00 H new ATOM 0 HA MET A 12 8.278 0.259 2.391 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.112 -1.005 4.580 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.144 -1.828 3.427 1.00 1.00 H new ATOM 0 HG2 MET A 12 11.082 0.283 2.655 1.00 1.00 H new ATOM 0 HG3 MET A 12 9.932 1.199 3.609 1.00 1.00 H new ATOM 0 HE1 MET A 12 11.193 0.836 7.277 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.878 1.334 6.186 1.00 1.00 H new ATOM 0 HE3 MET A 12 10.078 -0.382 6.616 1.00 1.00 H new ATOM 199 N SER A 13 9.489 -0.614 0.275 1.00 1.00 N ATOM 200 CA SER A 13 10.118 -1.118 -0.950 1.00 1.00 C ATOM 201 C SER A 13 11.616 -0.866 -0.844 1.00 1.00 C ATOM 202 O SER A 13 12.033 0.274 -0.623 1.00 1.00 O ATOM 203 CB SER A 13 9.535 -0.473 -2.218 1.00 1.00 C ATOM 204 OG SER A 13 10.302 -0.873 -3.342 1.00 1.00 O ATOM 0 H SER A 13 9.582 0.395 0.390 1.00 1.00 H new ATOM 0 HA SER A 13 9.916 -2.185 -1.042 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.495 -0.773 -2.347 1.00 1.00 H new ATOM 0 HB3 SER A 13 9.544 0.613 -2.125 1.00 1.00 H new ATOM 0 HG SER A 13 9.932 -0.465 -4.153 1.00 1.00 H new ATOM 210 N ARG A 14 12.430 -1.908 -1.043 1.00 1.00 N ATOM 211 CA ARG A 14 13.888 -1.800 -1.009 1.00 1.00 C ATOM 212 C ARG A 14 14.442 -0.886 -2.105 1.00 1.00 C ATOM 213 O ARG A 14 15.583 -0.441 -1.965 1.00 1.00 O ATOM 214 CB ARG A 14 14.537 -3.195 -1.088 1.00 1.00 C ATOM 215 CG ARG A 14 14.440 -3.991 0.226 1.00 1.00 C ATOM 216 CD ARG A 14 15.639 -4.926 0.432 1.00 1.00 C ATOM 217 NE ARG A 14 16.872 -4.183 0.755 1.00 1.00 N ATOM 218 CZ ARG A 14 18.073 -4.715 1.015 1.00 1.00 C ATOM 219 NH1 ARG A 14 18.275 -6.026 0.938 1.00 1.00 N ATOM 220 NH2 ARG A 14 19.083 -3.917 1.332 1.00 1.00 N ATOM 0 H ARG A 14 12.093 -2.852 -1.233 1.00 1.00 H new ATOM 0 HA ARG A 14 14.146 -1.339 -0.056 1.00 1.00 H new ATOM 0 HB2 ARG A 14 14.060 -3.765 -1.885 1.00 1.00 H new ATOM 0 HB3 ARG A 14 15.587 -3.084 -1.360 1.00 1.00 H new ATOM 0 HG2 ARG A 14 14.375 -3.297 1.064 1.00 1.00 H new ATOM 0 HG3 ARG A 14 13.521 -4.577 0.226 1.00 1.00 H new ATOM 0 HD2 ARG A 14 15.417 -5.627 1.236 1.00 1.00 H new ATOM 0 HD3 ARG A 14 15.798 -5.516 -0.471 1.00 1.00 H new ATOM 0 HE ARG A 14 16.803 -3.166 0.783 1.00 1.00 H new ATOM 0 HH11 ARG A 14 17.508 -6.646 0.677 1.00 1.00 H new ATOM 0 HH12 ARG A 14 19.197 -6.413 1.140 1.00 1.00 H new ATOM 0 HH21 ARG A 14 18.941 -2.908 1.376 1.00 1.00 H new ATOM 0 HH22 ARG A 14 20.002 -4.312 1.532 1.00 1.00 H new ATOM 234 N SER A 15 13.678 -0.557 -3.148 1.00 1.00 N ATOM 235 CA SER A 15 14.124 0.326 -4.207 1.00 1.00 C ATOM 236 C SER A 15 14.540 1.703 -3.669 1.00 1.00 C ATOM 237 O SER A 15 15.418 2.337 -4.248 1.00 1.00 O ATOM 238 CB SER A 15 13.014 0.467 -5.254 1.00 1.00 C ATOM 239 OG SER A 15 13.482 0.285 -6.581 1.00 1.00 O ATOM 0 H SER A 15 12.727 -0.903 -3.275 1.00 1.00 H new ATOM 0 HA SER A 15 15.008 -0.114 -4.669 1.00 1.00 H new ATOM 0 HB2 SER A 15 12.231 -0.262 -5.047 1.00 1.00 H new ATOM 0 HB3 SER A 15 12.561 1.455 -5.166 1.00 1.00 H new ATOM 0 HG SER A 15 12.735 0.383 -7.208 1.00 1.00 H new ATOM 245 N SER A 16 13.921 2.176 -2.580 1.00 1.00 N ATOM 246 CA SER A 16 14.143 3.513 -2.049 1.00 1.00 C ATOM 247 C SER A 16 13.941 3.611 -0.535 1.00 1.00 C ATOM 248 O SER A 16 14.487 4.513 0.101 1.00 1.00 O ATOM 249 CB SER A 16 13.120 4.434 -2.694 1.00 1.00 C ATOM 250 OG SER A 16 13.241 4.507 -4.095 1.00 1.00 O ATOM 0 H SER A 16 13.247 1.631 -2.043 1.00 1.00 H new ATOM 0 HA SER A 16 15.177 3.782 -2.265 1.00 1.00 H new ATOM 0 HB2 SER A 16 12.118 4.087 -2.440 1.00 1.00 H new ATOM 0 HB3 SER A 16 13.227 5.434 -2.274 1.00 1.00 H new ATOM 0 HG SER A 16 12.799 5.319 -4.420 1.00 1.00 H new ATOM 256 N GLY A 17 13.140 2.725 0.056 1.00 1.00 N ATOM 257 CA GLY A 17 12.556 2.939 1.369 1.00 1.00 C ATOM 258 C GLY A 17 11.274 3.763 1.316 1.00 1.00 C ATOM 259 O GLY A 17 10.880 4.341 2.330 1.00 1.00 O ATOM 0 H GLY A 17 12.880 1.835 -0.370 1.00 1.00 H new ATOM 0 HA2 GLY A 17 12.344 1.974 1.829 1.00 1.00 H new ATOM 0 HA3 GLY A 17 13.281 3.444 2.007 1.00 1.00 H new ATOM 263 N ARG A 18 10.598 3.810 0.163 1.00 1.00 N ATOM 264 CA ARG A 18 9.188 4.194 0.122 1.00 1.00 C ATOM 265 C ARG A 18 8.388 3.225 0.949 1.00 1.00 C ATOM 266 O ARG A 18 8.813 2.082 1.138 1.00 1.00 O ATOM 267 CB ARG A 18 8.629 4.135 -1.305 1.00 1.00 C ATOM 268 CG ARG A 18 9.240 5.181 -2.246 1.00 1.00 C ATOM 269 CD ARG A 18 8.657 5.026 -3.653 1.00 1.00 C ATOM 270 NE ARG A 18 9.635 5.370 -4.694 1.00 1.00 N ATOM 271 CZ ARG A 18 10.270 4.547 -5.534 1.00 1.00 C ATOM 272 NH1 ARG A 18 10.039 3.235 -5.533 1.00 1.00 N ATOM 273 NH2 ARG A 18 11.158 5.067 -6.368 1.00 1.00 N ATOM 0 H ARG A 18 11.003 3.588 -0.746 1.00 1.00 H new ATOM 0 HA ARG A 18 9.114 5.213 0.502 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.807 3.141 -1.715 1.00 1.00 H new ATOM 0 HB3 ARG A 18 7.549 4.277 -1.270 1.00 1.00 H new ATOM 0 HG2 ARG A 18 9.038 6.183 -1.869 1.00 1.00 H new ATOM 0 HG3 ARG A 18 10.323 5.065 -2.278 1.00 1.00 H new ATOM 0 HD2 ARG A 18 8.322 3.999 -3.796 1.00 1.00 H new ATOM 0 HD3 ARG A 18 7.780 5.665 -3.754 1.00 1.00 H new ATOM 0 HE ARG A 18 9.857 6.361 -4.787 1.00 1.00 H new ATOM 0 HH11 ARG A 18 9.364 2.837 -4.881 1.00 1.00 H new ATOM 0 HH12 ARG A 18 10.537 2.629 -6.185 1.00 1.00 H new ATOM 0 HH21 ARG A 18 11.341 6.070 -6.357 1.00 1.00 H new ATOM 0 HH22 ARG A 18 11.659 4.464 -7.021 1.00 1.00 H new ATOM 287 N VAL A 19 7.195 3.657 1.317 1.00 1.00 N ATOM 288 CA VAL A 19 6.227 2.862 2.009 1.00 1.00 C ATOM 289 C VAL A 19 5.029 2.729 1.074 1.00 1.00 C ATOM 290 O VAL A 19 3.938 3.220 1.347 1.00 1.00 O ATOM 291 CB VAL A 19 6.034 3.436 3.422 1.00 1.00 C ATOM 292 CG1 VAL A 19 5.300 4.780 3.539 1.00 1.00 C ATOM 293 CG2 VAL A 19 5.362 2.388 4.318 1.00 1.00 C ATOM 0 H VAL A 19 6.873 4.607 1.130 1.00 1.00 H new ATOM 0 HA VAL A 19 6.514 1.833 2.226 1.00 1.00 H new ATOM 0 HB VAL A 19 7.046 3.668 3.753 1.00 1.00 H new ATOM 0 HG11 VAL A 19 5.233 5.068 4.588 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.849 5.543 2.987 1.00 1.00 H new ATOM 0 HG13 VAL A 19 4.296 4.684 3.125 1.00 1.00 H new ATOM 0 HG21 VAL A 19 5.227 2.798 5.319 1.00 1.00 H new ATOM 0 HG22 VAL A 19 4.391 2.121 3.901 1.00 1.00 H new ATOM 0 HG23 VAL A 19 5.990 1.499 4.372 1.00 1.00 H new ATOM 303 N TYR A 20 5.254 2.150 -0.111 1.00 1.00 N ATOM 304 CA TYR A 20 4.159 1.794 -1.003 1.00 1.00 C ATOM 305 C TYR A 20 3.252 0.826 -0.237 1.00 1.00 C ATOM 306 O TYR A 20 3.694 -0.204 0.276 1.00 1.00 O ATOM 307 CB TYR A 20 4.654 1.292 -2.382 1.00 1.00 C ATOM 308 CG TYR A 20 5.229 -0.111 -2.532 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.878 -0.754 -1.468 1.00 1.00 C ATOM 310 CD2 TYR A 20 5.065 -0.805 -3.744 1.00 1.00 C ATOM 311 CE1 TYR A 20 6.276 -2.098 -1.563 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.449 -2.155 -3.841 1.00 1.00 C ATOM 313 CZ TYR A 20 6.068 -2.806 -2.760 1.00 1.00 C ATOM 314 OH TYR A 20 6.475 -4.098 -2.903 1.00 1.00 O ATOM 0 H TYR A 20 6.182 1.921 -0.468 1.00 1.00 H new ATOM 0 HA TYR A 20 3.570 2.669 -1.276 1.00 1.00 H new ATOM 0 HB2 TYR A 20 3.815 1.372 -3.074 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.417 1.991 -2.724 1.00 1.00 H new ATOM 0 HD1 TYR A 20 6.076 -0.206 -0.559 1.00 1.00 H new ATOM 0 HD2 TYR A 20 4.644 -0.301 -4.601 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.740 -2.586 -0.719 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.266 -2.697 -4.757 1.00 1.00 H new ATOM 0 HH TYR A 20 6.242 -4.417 -3.800 1.00 1.00 H new ATOM 324 N TYR A 21 1.991 1.184 -0.031 1.00 1.00 N ATOM 325 CA TYR A 21 1.095 0.252 0.629 1.00 1.00 C ATOM 326 C TYR A 21 0.933 -0.932 -0.314 1.00 1.00 C ATOM 327 O TYR A 21 1.134 -0.784 -1.519 1.00 1.00 O ATOM 328 CB TYR A 21 -0.240 0.895 0.994 1.00 1.00 C ATOM 329 CG TYR A 21 -0.223 2.087 1.935 1.00 1.00 C ATOM 330 CD1 TYR A 21 0.966 2.655 2.424 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.449 2.580 2.408 1.00 1.00 C ATOM 332 CE1 TYR A 21 0.932 3.791 3.237 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.489 3.661 3.306 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.299 4.312 3.681 1.00 1.00 C ATOM 335 OH TYR A 21 -0.365 5.372 4.530 1.00 1.00 O ATOM 0 H TYR A 21 1.580 2.078 -0.300 1.00 1.00 H new ATOM 0 HA TYR A 21 1.511 -0.074 1.582 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -0.725 1.207 0.069 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -0.870 0.126 1.441 1.00 1.00 H new ATOM 0 HD1 TYR A 21 1.916 2.209 2.169 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -2.371 2.124 2.079 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.855 4.272 3.526 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.435 3.992 3.709 1.00 1.00 H new ATOM 0 HH TYR A 21 0.411 5.954 4.388 1.00 1.00 H new ATOM 345 N PHE A 22 0.568 -2.090 0.216 1.00 1.00 N ATOM 346 CA PHE A 22 0.386 -3.313 -0.538 1.00 1.00 C ATOM 347 C PHE A 22 -0.842 -4.005 0.054 1.00 1.00 C ATOM 348 O PHE A 22 -0.947 -4.199 1.269 1.00 1.00 O ATOM 349 CB PHE A 22 1.698 -4.118 -0.515 1.00 1.00 C ATOM 350 CG PHE A 22 1.555 -5.614 -0.709 1.00 1.00 C ATOM 351 CD1 PHE A 22 1.161 -6.428 0.370 1.00 1.00 C ATOM 352 CD2 PHE A 22 1.837 -6.197 -1.957 1.00 1.00 C ATOM 353 CE1 PHE A 22 1.012 -7.813 0.190 1.00 1.00 C ATOM 354 CE2 PHE A 22 1.711 -7.586 -2.129 1.00 1.00 C ATOM 355 CZ PHE A 22 1.288 -8.395 -1.060 1.00 1.00 C ATOM 0 H PHE A 22 0.386 -2.204 1.213 1.00 1.00 H new ATOM 0 HA PHE A 22 0.185 -3.162 -1.599 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.354 -3.730 -1.294 1.00 1.00 H new ATOM 0 HB3 PHE A 22 2.195 -3.940 0.438 1.00 1.00 H new ATOM 0 HD1 PHE A 22 0.973 -5.987 1.338 1.00 1.00 H new ATOM 0 HD2 PHE A 22 2.151 -5.577 -2.784 1.00 1.00 H new ATOM 0 HE1 PHE A 22 0.685 -8.432 1.013 1.00 1.00 H new ATOM 0 HE2 PHE A 22 1.940 -8.033 -3.085 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.175 -9.460 -1.198 1.00 1.00 H new ATOM 365 N ASN A 23 -1.822 -4.278 -0.798 1.00 1.00 N ATOM 366 CA ASN A 23 -3.020 -5.044 -0.500 1.00 1.00 C ATOM 367 C ASN A 23 -2.634 -6.485 -0.284 1.00 1.00 C ATOM 368 O ASN A 23 -1.749 -6.996 -0.958 1.00 1.00 O ATOM 369 CB ASN A 23 -3.935 -4.987 -1.705 1.00 1.00 C ATOM 370 CG ASN A 23 -5.347 -5.457 -1.437 1.00 1.00 C ATOM 371 OD1 ASN A 23 -5.557 -6.621 -1.169 1.00 1.00 O ATOM 372 ND2 ASN A 23 -6.340 -4.608 -1.569 1.00 1.00 N ATOM 0 H ASN A 23 -1.799 -3.953 -1.765 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.512 -4.640 0.385 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -3.970 -3.961 -2.072 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.507 -5.596 -2.501 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -7.302 -4.925 -1.446 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -6.150 -3.632 -1.795 1.00 1.00 H new ATOM 379 N HIS A 24 -3.359 -7.172 0.580 1.00 1.00 N ATOM 380 CA HIS A 24 -3.051 -8.534 0.960 1.00 1.00 C ATOM 381 C HIS A 24 -3.996 -9.578 0.356 1.00 1.00 C ATOM 382 O HIS A 24 -4.011 -10.740 0.766 1.00 1.00 O ATOM 383 CB HIS A 24 -2.965 -8.584 2.483 1.00 1.00 C ATOM 384 CG HIS A 24 -4.167 -8.142 3.273 1.00 1.00 C ATOM 385 ND1 HIS A 24 -4.239 -6.980 4.003 1.00 1.00 N ATOM 386 CD2 HIS A 24 -5.319 -8.846 3.499 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.428 -6.969 4.619 1.00 1.00 C ATOM 388 NE2 HIS A 24 -6.127 -8.077 4.340 1.00 1.00 N ATOM 0 H HIS A 24 -4.186 -6.794 1.041 1.00 1.00 H new ATOM 0 HA HIS A 24 -2.088 -8.817 0.535 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.735 -9.610 2.771 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -2.119 -7.969 2.790 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.560 -9.820 3.099 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -5.778 -6.171 5.257 1.00 1.00 H new ATOM 0 HE2 HIS A 24 -7.062 -8.312 4.674 1.00 1.00 H new ATOM 396 N ILE A 25 -4.800 -9.160 -0.611 1.00 1.00 N ATOM 397 CA ILE A 25 -5.945 -9.839 -1.191 1.00 1.00 C ATOM 398 C ILE A 25 -5.771 -9.743 -2.701 1.00 1.00 C ATOM 399 O ILE A 25 -5.795 -10.755 -3.399 1.00 1.00 O ATOM 400 CB ILE A 25 -7.266 -9.181 -0.721 1.00 1.00 C ATOM 401 CG1 ILE A 25 -7.290 -8.936 0.809 1.00 1.00 C ATOM 402 CG2 ILE A 25 -8.447 -10.025 -1.222 1.00 1.00 C ATOM 403 CD1 ILE A 25 -8.360 -7.952 1.243 1.00 1.00 C ATOM 0 H ILE A 25 -4.651 -8.251 -1.049 1.00 1.00 H new ATOM 0 HA ILE A 25 -5.999 -10.881 -0.876 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.349 -8.186 -1.157 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -7.451 -9.886 1.319 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -6.315 -8.565 1.126 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.383 -9.571 -0.897 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.425 -10.071 -2.311 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.372 -11.033 -0.815 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.322 -7.826 2.325 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -8.187 -6.990 0.760 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -9.341 -8.331 0.956 1.00 1.00 H new ATOM 415 N THR A 26 -5.561 -8.535 -3.209 1.00 1.00 N ATOM 416 CA THR A 26 -5.420 -8.276 -4.627 1.00 1.00 C ATOM 417 C THR A 26 -3.945 -8.126 -5.026 1.00 1.00 C ATOM 418 O THR A 26 -3.631 -7.982 -6.205 1.00 1.00 O ATOM 419 CB THR A 26 -6.243 -7.033 -4.988 1.00 1.00 C ATOM 420 OG1 THR A 26 -5.655 -5.868 -4.449 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.679 -7.135 -4.450 1.00 1.00 C ATOM 0 H THR A 26 -5.483 -7.697 -2.633 1.00 1.00 H new ATOM 0 HA THR A 26 -5.801 -9.127 -5.192 1.00 1.00 H new ATOM 0 HB THR A 26 -6.264 -6.975 -6.076 1.00 1.00 H new ATOM 0 HG1 THR A 26 -6.195 -5.087 -4.692 1.00 1.00 H new ATOM 0 HG21 THR A 26 -8.235 -6.238 -4.723 1.00 1.00 H new ATOM 0 HG22 THR A 26 -8.167 -8.009 -4.880 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.655 -7.230 -3.364 1.00 1.00 H new ATOM 429 N ASN A 27 -3.043 -8.130 -4.039 1.00 1.00 N ATOM 430 CA ASN A 27 -1.597 -7.899 -4.089 1.00 1.00 C ATOM 431 C ASN A 27 -1.120 -6.580 -4.708 1.00 1.00 C ATOM 432 O ASN A 27 0.083 -6.331 -4.688 1.00 1.00 O ATOM 433 CB ASN A 27 -0.838 -9.125 -4.619 1.00 1.00 C ATOM 434 CG ASN A 27 -0.453 -9.039 -6.093 1.00 1.00 C ATOM 435 OD1 ASN A 27 0.615 -8.544 -6.452 1.00 1.00 O ATOM 436 ND2 ASN A 27 -1.289 -9.547 -6.975 1.00 1.00 N ATOM 0 H ASN A 27 -3.342 -8.316 -3.082 1.00 1.00 H new ATOM 0 HA ASN A 27 -1.331 -7.759 -3.041 1.00 1.00 H new ATOM 0 HB2 ASN A 27 0.067 -9.261 -4.027 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -1.454 -10.012 -4.468 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -1.054 -9.533 -7.967 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -2.171 -9.955 -6.666 1.00 1.00 H new ATOM 443 N ALA A 28 -2.001 -5.717 -5.223 1.00 1.00 N ATOM 444 CA ALA A 28 -1.617 -4.419 -5.779 1.00 1.00 C ATOM 445 C ALA A 28 -0.899 -3.559 -4.731 1.00 1.00 C ATOM 446 O ALA A 28 -1.124 -3.730 -3.531 1.00 1.00 O ATOM 447 CB ALA A 28 -2.867 -3.697 -6.284 1.00 1.00 C ATOM 0 H ALA A 28 -3.003 -5.901 -5.265 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.927 -4.583 -6.606 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.585 -2.729 -6.699 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -3.347 -4.298 -7.057 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -3.561 -3.549 -5.457 1.00 1.00 H new ATOM 453 N SER A 29 -0.084 -2.596 -5.174 1.00 1.00 N ATOM 454 CA SER A 29 0.624 -1.665 -4.299 1.00 1.00 C ATOM 455 C SER A 29 0.501 -0.228 -4.813 1.00 1.00 C ATOM 456 O SER A 29 0.230 -0.036 -6.003 1.00 1.00 O ATOM 457 CB SER A 29 2.090 -2.085 -4.119 1.00 1.00 C ATOM 458 OG SER A 29 2.659 -2.484 -5.357 1.00 1.00 O ATOM 0 H SER A 29 0.103 -2.442 -6.165 1.00 1.00 H new ATOM 0 HA SER A 29 0.155 -1.698 -3.316 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.661 -1.256 -3.702 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.152 -2.906 -3.404 1.00 1.00 H new ATOM 0 HG SER A 29 3.585 -2.166 -5.409 1.00 1.00 H new ATOM 464 N GLN A 30 0.652 0.789 -3.947 1.00 1.00 N ATOM 465 CA GLN A 30 0.191 2.160 -4.236 1.00 1.00 C ATOM 466 C GLN A 30 0.587 3.162 -3.137 1.00 1.00 C ATOM 467 O GLN A 30 1.282 2.804 -2.192 1.00 1.00 O ATOM 468 CB GLN A 30 -1.340 2.156 -4.464 1.00 1.00 C ATOM 469 CG GLN A 30 -1.743 2.524 -5.899 1.00 1.00 C ATOM 470 CD GLN A 30 -3.255 2.461 -6.096 1.00 1.00 C ATOM 471 OE1 GLN A 30 -3.873 1.403 -6.026 1.00 1.00 O ATOM 472 NE2 GLN A 30 -3.893 3.594 -6.321 1.00 1.00 N ATOM 0 H GLN A 30 1.094 0.686 -3.033 1.00 1.00 H new ATOM 0 HA GLN A 30 0.691 2.495 -5.145 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -1.733 1.167 -4.226 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -1.805 2.859 -3.772 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -1.388 3.528 -6.130 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -1.256 1.845 -6.599 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -3.373 4.470 -6.378 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -4.906 3.594 -6.438 1.00 1.00 H new ATOM 481 N TRP A 31 0.155 4.423 -3.284 1.00 1.00 N ATOM 482 CA TRP A 31 0.625 5.580 -2.513 1.00 1.00 C ATOM 483 C TRP A 31 -0.433 6.230 -1.612 1.00 1.00 C ATOM 484 O TRP A 31 -0.119 7.123 -0.829 1.00 1.00 O ATOM 485 CB TRP A 31 1.050 6.651 -3.519 1.00 1.00 C ATOM 486 CG TRP A 31 1.954 6.219 -4.634 1.00 1.00 C ATOM 487 CD1 TRP A 31 1.704 6.412 -5.949 1.00 1.00 C ATOM 488 CD2 TRP A 31 3.246 5.542 -4.568 1.00 1.00 C ATOM 489 NE1 TRP A 31 2.749 5.917 -6.699 1.00 1.00 N ATOM 490 CE2 TRP A 31 3.713 5.346 -5.903 1.00 1.00 C ATOM 491 CE3 TRP A 31 4.083 5.082 -3.528 1.00 1.00 C ATOM 492 CZ2 TRP A 31 4.920 4.698 -6.185 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.308 4.451 -3.805 1.00 1.00 C ATOM 494 CH2 TRP A 31 5.721 4.243 -5.131 1.00 1.00 C ATOM 0 H TRP A 31 -0.558 4.673 -3.969 1.00 1.00 H new ATOM 0 HA TRP A 31 1.422 5.215 -1.865 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.149 7.078 -3.960 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.547 7.452 -2.971 1.00 1.00 H new ATOM 0 HD1 TRP A 31 0.819 6.883 -6.351 1.00 1.00 H new ATOM 0 HE1 TRP A 31 2.800 5.968 -7.716 1.00 1.00 H new ATOM 0 HE3 TRP A 31 3.776 5.217 -2.501 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.232 4.550 -7.208 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 5.937 4.123 -2.991 1.00 1.00 H new ATOM 0 HH2 TRP A 31 6.652 3.735 -5.336 1.00 1.00 H new ATOM 505 N GLU A 32 -1.698 5.874 -1.810 1.00 1.00 N ATOM 506 CA GLU A 32 -2.866 6.478 -1.163 1.00 1.00 C ATOM 507 C GLU A 32 -3.037 5.956 0.276 1.00 1.00 C ATOM 508 O GLU A 32 -2.243 5.147 0.743 1.00 1.00 O ATOM 509 CB GLU A 32 -4.110 6.182 -2.022 1.00 1.00 C ATOM 510 CG GLU A 32 -4.076 6.766 -3.443 1.00 1.00 C ATOM 511 CD GLU A 32 -4.382 8.266 -3.473 1.00 1.00 C ATOM 512 OE1 GLU A 32 -3.719 9.038 -2.751 1.00 1.00 O ATOM 513 OE2 GLU A 32 -5.290 8.692 -4.226 1.00 1.00 O ATOM 0 H GLU A 32 -1.952 5.124 -2.453 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.727 7.557 -1.089 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -4.234 5.101 -2.093 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.989 6.571 -1.507 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.093 6.591 -3.880 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.799 6.239 -4.065 1.00 1.00 H new ATOM 520 N ARG A 33 -4.092 6.378 0.985 1.00 1.00 N ATOM 521 CA ARG A 33 -4.426 5.917 2.337 1.00 1.00 C ATOM 522 C ARG A 33 -5.797 5.236 2.330 1.00 1.00 C ATOM 523 O ARG A 33 -6.789 5.949 2.199 1.00 1.00 O ATOM 524 CB ARG A 33 -4.379 7.101 3.318 1.00 1.00 C ATOM 525 CG ARG A 33 -2.947 7.509 3.706 1.00 1.00 C ATOM 526 CD ARG A 33 -2.698 9.027 3.666 1.00 1.00 C ATOM 527 NE ARG A 33 -2.829 9.597 2.313 1.00 1.00 N ATOM 528 CZ ARG A 33 -2.040 9.347 1.262 1.00 1.00 C ATOM 529 NH1 ARG A 33 -1.014 8.512 1.357 1.00 1.00 N ATOM 530 NH2 ARG A 33 -2.300 9.923 0.099 1.00 1.00 N ATOM 0 H ARG A 33 -4.753 7.066 0.625 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.693 5.182 2.669 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -4.885 7.956 2.870 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -4.933 6.840 4.220 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -2.735 7.142 4.710 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -2.245 7.018 3.032 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -3.403 9.523 4.333 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -1.698 9.236 4.047 1.00 1.00 H new ATOM 0 HE ARG A 33 -3.600 10.248 2.163 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -0.815 8.047 2.243 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -0.424 8.334 0.544 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -3.097 10.553 0.009 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -1.703 9.737 -0.707 1.00 1.00 H new ATOM 544 N PRO A 34 -5.905 3.895 2.394 1.00 1.00 N ATOM 545 CA PRO A 34 -7.193 3.218 2.350 1.00 1.00 C ATOM 546 C PRO A 34 -8.057 3.526 3.562 1.00 1.00 C ATOM 547 O PRO A 34 -7.541 3.900 4.620 1.00 1.00 O ATOM 548 CB PRO A 34 -6.910 1.724 2.237 1.00 1.00 C ATOM 549 CG PRO A 34 -5.405 1.546 2.221 1.00 1.00 C ATOM 550 CD PRO A 34 -4.815 2.940 2.422 1.00 1.00 C ATOM 0 HA PRO A 34 -7.764 3.573 1.492 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -7.351 1.186 3.076 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.354 1.317 1.328 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.084 0.868 3.012 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.073 1.114 1.277 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.284 2.996 3.372 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.091 3.164 1.638 1.00 1.00 H new ATOM 558 N SER A 35 -9.360 3.305 3.409 1.00 1.00 N ATOM 559 CA SER A 35 -10.363 3.601 4.424 1.00 1.00 C ATOM 560 C SER A 35 -11.431 2.504 4.461 1.00 1.00 C ATOM 561 O SER A 35 -11.760 2.004 5.535 1.00 1.00 O ATOM 562 CB SER A 35 -10.994 4.969 4.134 1.00 1.00 C ATOM 563 OG SER A 35 -10.024 5.979 3.905 1.00 1.00 O ATOM 0 H SER A 35 -9.755 2.907 2.557 1.00 1.00 H new ATOM 0 HA SER A 35 -9.885 3.633 5.403 1.00 1.00 H new ATOM 0 HB2 SER A 35 -11.642 4.888 3.262 1.00 1.00 H new ATOM 0 HB3 SER A 35 -11.625 5.260 4.974 1.00 1.00 H new ATOM 0 HG SER A 35 -10.475 6.830 3.724 1.00 1.00 H new ATOM 569 N GLY A 36 -11.955 2.093 3.307 1.00 1.00 N ATOM 570 CA GLY A 36 -13.087 1.194 3.186 1.00 1.00 C ATOM 571 C GLY A 36 -13.683 1.391 1.812 1.00 1.00 C ATOM 572 O GLY A 36 -14.719 0.764 1.511 1.00 1.00 O ATOM 573 OXT GLY A 36 -13.122 2.187 1.027 1.00 1.00 O ATOM 0 H GLY A 36 -11.586 2.390 2.404 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -12.771 0.160 3.321 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -13.827 1.404 3.958 1.00 1.00 H new