USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 280 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 26 ASN : amide:sc= -1.4! C(o=-1.4!,f=-16!) USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.266 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.733 K(o=-0.73,f=-2.3!) USER MOD Single : A 14 SER OG : rot 27:sc= 0.389 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0741 USER MOD Single : A 17 SER OG : rot 180:sc= 0.305 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 22:sc= 0.518 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -39:sc= 0.99 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -168:sc= 1.02 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -56:sc= 0.0249 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.935 -2.701 -21.932 1.00 0.00 N ATOM 2 CA GLY A 1 7.791 -3.840 -21.659 1.00 0.00 C ATOM 3 C GLY A 1 7.128 -4.861 -20.756 1.00 0.00 C ATOM 4 O GLY A 1 6.126 -5.471 -21.129 1.00 0.00 O ATOM 0 H1 GLY A 1 7.434 -2.033 -22.553 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.065 -3.025 -22.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.692 -2.228 -21.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.067 -4.317 -22.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.714 -3.494 -21.194 1.00 0.00 H new ATOM 8 N SER A 2 7.688 -5.048 -19.565 1.00 0.00 N ATOM 9 CA SER A 2 7.147 -6.006 -18.608 1.00 0.00 C ATOM 10 C SER A 2 6.642 -5.297 -17.356 1.00 0.00 C ATOM 11 O SER A 2 6.851 -5.766 -16.237 1.00 0.00 O ATOM 12 CB SER A 2 8.212 -7.038 -18.230 1.00 0.00 C ATOM 13 OG SER A 2 7.640 -8.127 -17.527 1.00 0.00 O ATOM 0 H SER A 2 8.516 -4.549 -19.240 1.00 0.00 H new ATOM 0 HA SER A 2 6.307 -6.517 -19.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.706 -7.402 -19.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.978 -6.566 -17.615 1.00 0.00 H new ATOM 0 HG SER A 2 7.130 -7.790 -16.761 1.00 0.00 H new ATOM 19 N SER A 3 5.978 -4.163 -17.553 1.00 0.00 N ATOM 20 CA SER A 3 5.446 -3.385 -16.440 1.00 0.00 C ATOM 21 C SER A 3 4.490 -4.225 -15.598 1.00 0.00 C ATOM 22 O SER A 3 3.795 -5.099 -16.114 1.00 0.00 O ATOM 23 CB SER A 3 4.726 -2.139 -16.958 1.00 0.00 C ATOM 24 OG SER A 3 5.635 -1.070 -17.156 1.00 0.00 O ATOM 0 H SER A 3 5.795 -3.762 -18.473 1.00 0.00 H new ATOM 0 HA SER A 3 6.282 -3.078 -15.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.222 -2.370 -17.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.956 -1.839 -16.248 1.00 0.00 H new ATOM 0 HG SER A 3 5.150 -0.286 -17.489 1.00 0.00 H new ATOM 30 N GLY A 4 4.462 -3.953 -14.296 1.00 0.00 N ATOM 31 CA GLY A 4 3.589 -4.692 -13.403 1.00 0.00 C ATOM 32 C GLY A 4 4.167 -4.826 -12.008 1.00 0.00 C ATOM 33 O GLY A 4 4.945 -5.741 -11.736 1.00 0.00 O ATOM 0 H GLY A 4 5.028 -3.235 -13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.623 -4.190 -13.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.409 -5.685 -13.815 1.00 0.00 H new ATOM 37 N SER A 5 3.787 -3.912 -11.121 1.00 0.00 N ATOM 38 CA SER A 5 4.277 -3.929 -9.748 1.00 0.00 C ATOM 39 C SER A 5 3.170 -4.337 -8.781 1.00 0.00 C ATOM 40 O SER A 5 1.985 -4.205 -9.086 1.00 0.00 O ATOM 41 CB SER A 5 4.825 -2.554 -9.362 1.00 0.00 C ATOM 42 OG SER A 5 5.936 -2.203 -10.170 1.00 0.00 O ATOM 0 H SER A 5 3.141 -3.150 -11.329 1.00 0.00 H new ATOM 0 HA SER A 5 5.080 -4.663 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.042 -1.804 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.121 -2.558 -8.313 1.00 0.00 H new ATOM 0 HG SER A 5 6.267 -1.320 -9.905 1.00 0.00 H new ATOM 48 N SER A 6 3.566 -4.833 -7.613 1.00 0.00 N ATOM 49 CA SER A 6 2.608 -5.265 -6.602 1.00 0.00 C ATOM 50 C SER A 6 2.086 -4.073 -5.804 1.00 0.00 C ATOM 51 O SER A 6 1.950 -4.141 -4.584 1.00 0.00 O ATOM 52 CB SER A 6 3.254 -6.281 -5.658 1.00 0.00 C ATOM 53 OG SER A 6 3.723 -7.413 -6.370 1.00 0.00 O ATOM 0 H SER A 6 4.543 -4.946 -7.344 1.00 0.00 H new ATOM 0 HA SER A 6 1.767 -5.736 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.083 -5.813 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.530 -6.595 -4.906 1.00 0.00 H new ATOM 0 HG SER A 6 4.133 -8.046 -5.744 1.00 0.00 H new ATOM 59 N GLY A 7 1.796 -2.981 -6.505 1.00 0.00 N ATOM 60 CA GLY A 7 1.293 -1.790 -5.848 1.00 0.00 C ATOM 61 C GLY A 7 2.400 -0.827 -5.466 1.00 0.00 C ATOM 62 O GLY A 7 3.491 -0.866 -6.035 1.00 0.00 O ATOM 0 H GLY A 7 1.901 -2.901 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.588 -1.285 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.741 -2.078 -4.953 1.00 0.00 H new ATOM 66 N LEU A 8 2.119 0.041 -4.500 1.00 0.00 N ATOM 67 CA LEU A 8 3.099 1.020 -4.043 1.00 0.00 C ATOM 68 C LEU A 8 4.305 0.331 -3.414 1.00 0.00 C ATOM 69 O LEU A 8 4.210 -0.774 -2.878 1.00 0.00 O ATOM 70 CB LEU A 8 2.461 1.978 -3.035 1.00 0.00 C ATOM 71 CG LEU A 8 1.051 2.464 -3.371 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.537 3.401 -2.289 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.034 3.154 -4.728 1.00 0.00 C ATOM 0 H LEU A 8 1.221 0.087 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 8 3.439 1.588 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.432 1.485 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.109 2.849 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 8 0.391 1.598 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.468 3.737 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.511 2.875 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.199 4.264 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.022 3.493 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.708 4.010 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.359 2.453 -5.497 1.00 0.00 H new ATOM 85 N PRO A 9 5.468 0.996 -3.477 1.00 0.00 N ATOM 86 CA PRO A 9 6.715 0.468 -2.916 1.00 0.00 C ATOM 87 C PRO A 9 6.699 0.443 -1.391 1.00 0.00 C ATOM 88 O PRO A 9 5.975 1.197 -0.741 1.00 0.00 O ATOM 89 CB PRO A 9 7.776 1.447 -3.424 1.00 0.00 C ATOM 90 CG PRO A 9 7.036 2.718 -3.661 1.00 0.00 C ATOM 91 CD PRO A 9 5.655 2.317 -4.101 1.00 0.00 C ATOM 0 HA PRO A 9 6.891 -0.565 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.572 1.583 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.243 1.084 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.997 3.322 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.529 3.320 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.903 3.031 -3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.579 2.263 -5.187 1.00 0.00 H new ATOM 99 N PRO A 10 7.517 -0.444 -0.805 1.00 0.00 N ATOM 100 CA PRO A 10 7.616 -0.587 0.651 1.00 0.00 C ATOM 101 C PRO A 10 8.288 0.614 1.307 1.00 0.00 C ATOM 102 O PRO A 10 9.512 0.670 1.416 1.00 0.00 O ATOM 103 CB PRO A 10 8.475 -1.842 0.826 1.00 0.00 C ATOM 104 CG PRO A 10 9.280 -1.928 -0.425 1.00 0.00 C ATOM 105 CD PRO A 10 8.408 -1.375 -1.518 1.00 0.00 C ATOM 0 HA PRO A 10 6.635 -0.656 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.116 -1.764 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.857 -2.729 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.203 -1.355 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.564 -2.959 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.995 -0.864 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.847 -2.162 -2.022 1.00 0.00 H new ATOM 113 N GLY A 11 7.478 1.574 1.743 1.00 0.00 N ATOM 114 CA GLY A 11 8.014 2.761 2.384 1.00 0.00 C ATOM 115 C GLY A 11 7.069 3.944 2.295 1.00 0.00 C ATOM 116 O GLY A 11 7.136 4.862 3.112 1.00 0.00 O ATOM 0 H GLY A 11 6.461 1.551 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.221 2.543 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.965 3.023 1.920 1.00 0.00 H new ATOM 120 N TRP A 12 6.189 3.922 1.301 1.00 0.00 N ATOM 121 CA TRP A 12 5.228 5.002 1.107 1.00 0.00 C ATOM 122 C TRP A 12 3.955 4.747 1.906 1.00 0.00 C ATOM 123 O TRP A 12 3.517 3.605 2.044 1.00 0.00 O ATOM 124 CB TRP A 12 4.892 5.153 -0.377 1.00 0.00 C ATOM 125 CG TRP A 12 5.855 6.030 -1.118 1.00 0.00 C ATOM 126 CD1 TRP A 12 7.096 5.685 -1.572 1.00 0.00 C ATOM 127 CD2 TRP A 12 5.656 7.399 -1.489 1.00 0.00 C ATOM 128 NE1 TRP A 12 7.681 6.757 -2.202 1.00 0.00 N ATOM 129 CE2 TRP A 12 6.818 7.820 -2.166 1.00 0.00 C ATOM 130 CE3 TRP A 12 4.610 8.309 -1.317 1.00 0.00 C ATOM 131 CZ2 TRP A 12 6.960 9.111 -2.668 1.00 0.00 C ATOM 132 CZ3 TRP A 12 4.752 9.590 -1.815 1.00 0.00 C ATOM 133 CH2 TRP A 12 5.920 9.981 -2.485 1.00 0.00 C ATOM 0 H TRP A 12 6.121 3.169 0.617 1.00 0.00 H new ATOM 0 HA TRP A 12 5.681 5.927 1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 12 4.879 4.167 -0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.888 5.565 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.551 4.713 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.608 6.761 -2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.706 8.016 -0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.859 9.415 -3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.950 10.302 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.000 10.989 -2.864 1.00 0.00 H new ATOM 144 N GLN A 13 3.366 5.817 2.430 1.00 0.00 N ATOM 145 CA GLN A 13 2.143 5.708 3.216 1.00 0.00 C ATOM 146 C GLN A 13 0.930 6.143 2.400 1.00 0.00 C ATOM 147 O GLN A 13 1.025 7.035 1.557 1.00 0.00 O ATOM 148 CB GLN A 13 2.249 6.555 4.485 1.00 0.00 C ATOM 149 CG GLN A 13 3.305 6.061 5.460 1.00 0.00 C ATOM 150 CD GLN A 13 3.059 4.635 5.914 1.00 0.00 C ATOM 151 OE1 GLN A 13 1.973 4.088 5.718 1.00 0.00 O ATOM 152 NE2 GLN A 13 4.068 4.025 6.524 1.00 0.00 N ATOM 0 H GLN A 13 3.716 6.769 2.324 1.00 0.00 H new ATOM 0 HA GLN A 13 2.014 4.662 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.476 7.584 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.281 6.567 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.286 6.124 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.326 6.717 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.951 4.516 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.961 3.065 6.851 1.00 0.00 H new ATOM 161 N SER A 14 -0.208 5.506 2.655 1.00 0.00 N ATOM 162 CA SER A 14 -1.439 5.825 1.940 1.00 0.00 C ATOM 163 C SER A 14 -2.443 6.506 2.865 1.00 0.00 C ATOM 164 O SER A 14 -2.845 5.945 3.884 1.00 0.00 O ATOM 165 CB SER A 14 -2.053 4.555 1.348 1.00 0.00 C ATOM 166 OG SER A 14 -2.368 3.619 2.365 1.00 0.00 O ATOM 0 H SER A 14 -0.304 4.766 3.351 1.00 0.00 H new ATOM 0 HA SER A 14 -1.193 6.512 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.955 4.809 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.356 4.107 0.640 1.00 0.00 H new ATOM 0 HG SER A 14 -2.544 4.094 3.204 1.00 0.00 H new ATOM 172 N TYR A 15 -2.844 7.719 2.501 1.00 0.00 N ATOM 173 CA TYR A 15 -3.799 8.479 3.298 1.00 0.00 C ATOM 174 C TYR A 15 -4.966 8.958 2.440 1.00 0.00 C ATOM 175 O TYR A 15 -4.821 9.166 1.234 1.00 0.00 O ATOM 176 CB TYR A 15 -3.110 9.676 3.955 1.00 0.00 C ATOM 177 CG TYR A 15 -1.880 9.304 4.752 1.00 0.00 C ATOM 178 CD1 TYR A 15 -1.970 8.463 5.854 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.627 9.793 4.402 1.00 0.00 C ATOM 180 CE1 TYR A 15 -0.850 8.121 6.585 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.499 9.455 5.127 1.00 0.00 C ATOM 182 CZ TYR A 15 0.383 8.619 6.218 1.00 0.00 C ATOM 183 OH TYR A 15 1.502 8.280 6.943 1.00 0.00 O ATOM 0 H TYR A 15 -2.522 8.197 1.659 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.189 7.821 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.829 10.392 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.820 10.178 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.933 8.070 6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.532 10.448 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.939 7.467 7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.465 9.843 4.841 1.00 0.00 H new ATOM 0 HH TYR A 15 2.289 8.714 6.552 1.00 0.00 H new ATOM 193 N LEU A 16 -6.123 9.132 3.069 1.00 0.00 N ATOM 194 CA LEU A 16 -7.316 9.588 2.365 1.00 0.00 C ATOM 195 C LEU A 16 -7.597 11.057 2.663 1.00 0.00 C ATOM 196 O LEU A 16 -7.409 11.519 3.788 1.00 0.00 O ATOM 197 CB LEU A 16 -8.523 8.736 2.762 1.00 0.00 C ATOM 198 CG LEU A 16 -8.495 7.277 2.304 1.00 0.00 C ATOM 199 CD1 LEU A 16 -9.732 6.540 2.792 1.00 0.00 C ATOM 200 CD2 LEU A 16 -8.387 7.196 0.788 1.00 0.00 C ATOM 0 H LEU A 16 -6.260 8.964 4.066 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.139 9.481 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.613 8.753 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.421 9.205 2.360 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.617 6.797 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.694 5.504 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.766 6.568 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.624 7.020 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.368 6.151 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.245 7.693 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.470 7.687 0.462 1.00 0.00 H new ATOM 212 N SER A 17 -8.049 11.786 1.647 1.00 0.00 N ATOM 213 CA SER A 17 -8.355 13.204 1.800 1.00 0.00 C ATOM 214 C SER A 17 -9.541 13.406 2.737 1.00 0.00 C ATOM 215 O SER A 17 -10.361 12.511 2.945 1.00 0.00 O ATOM 216 CB SER A 17 -8.653 13.832 0.438 1.00 0.00 C ATOM 217 OG SER A 17 -10.036 13.762 0.136 1.00 0.00 O ATOM 0 H SER A 17 -8.211 11.418 0.710 1.00 0.00 H new ATOM 0 HA SER A 17 -7.484 13.694 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.329 14.873 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.082 13.318 -0.336 1.00 0.00 H new ATOM 0 HG SER A 17 -10.201 14.171 -0.739 1.00 0.00 H new ATOM 223 N PRO A 18 -9.637 14.611 3.318 1.00 0.00 N ATOM 224 CA PRO A 18 -10.720 14.961 4.242 1.00 0.00 C ATOM 225 C PRO A 18 -12.066 15.085 3.537 1.00 0.00 C ATOM 226 O PRO A 18 -13.051 15.518 4.135 1.00 0.00 O ATOM 227 CB PRO A 18 -10.283 16.316 4.803 1.00 0.00 C ATOM 228 CG PRO A 18 -9.397 16.893 3.754 1.00 0.00 C ATOM 229 CD PRO A 18 -8.696 15.726 3.116 1.00 0.00 C ATOM 0 HA PRO A 18 -10.868 14.196 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.141 16.960 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.753 16.201 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.976 17.450 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.680 17.589 4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.503 15.903 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.733 15.529 3.587 1.00 0.00 H new ATOM 237 N GLN A 19 -12.100 14.702 2.265 1.00 0.00 N ATOM 238 CA GLN A 19 -13.327 14.771 1.480 1.00 0.00 C ATOM 239 C GLN A 19 -13.732 13.388 0.980 1.00 0.00 C ATOM 240 O GLN A 19 -14.905 13.135 0.708 1.00 0.00 O ATOM 241 CB GLN A 19 -13.147 15.722 0.296 1.00 0.00 C ATOM 242 CG GLN A 19 -13.391 17.181 0.644 1.00 0.00 C ATOM 243 CD GLN A 19 -12.911 18.128 -0.438 1.00 0.00 C ATOM 244 OE1 GLN A 19 -13.260 17.979 -1.609 1.00 0.00 O ATOM 245 NE2 GLN A 19 -12.106 19.111 -0.051 1.00 0.00 N ATOM 0 H GLN A 19 -11.293 14.341 1.756 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.120 15.151 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.135 15.615 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.829 15.429 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.457 17.337 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.883 17.417 1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.842 19.197 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.752 19.779 -0.735 1.00 0.00 H new ATOM 254 N GLY A 20 -12.753 12.497 0.861 1.00 0.00 N ATOM 255 CA GLY A 20 -13.027 11.151 0.393 1.00 0.00 C ATOM 256 C GLY A 20 -11.970 10.644 -0.568 1.00 0.00 C ATOM 257 O GLY A 20 -11.746 9.438 -0.675 1.00 0.00 O ATOM 0 H GLY A 20 -11.774 12.683 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.089 10.478 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.000 11.132 -0.099 1.00 0.00 H new ATOM 261 N ARG A 21 -11.320 11.566 -1.270 1.00 0.00 N ATOM 262 CA ARG A 21 -10.283 11.206 -2.229 1.00 0.00 C ATOM 263 C ARG A 21 -9.159 10.430 -1.549 1.00 0.00 C ATOM 264 O ARG A 21 -9.115 10.329 -0.322 1.00 0.00 O ATOM 265 CB ARG A 21 -9.718 12.461 -2.898 1.00 0.00 C ATOM 266 CG ARG A 21 -9.243 12.230 -4.323 1.00 0.00 C ATOM 267 CD ARG A 21 -10.325 11.582 -5.173 1.00 0.00 C ATOM 268 NE ARG A 21 -10.253 10.124 -5.132 1.00 0.00 N ATOM 269 CZ ARG A 21 -10.844 9.334 -6.022 1.00 0.00 C ATOM 270 NH1 ARG A 21 -11.545 9.859 -7.017 1.00 0.00 N ATOM 271 NH2 ARG A 21 -10.732 8.016 -5.918 1.00 0.00 N ATOM 0 H ARG A 21 -11.493 12.568 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.733 10.568 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.483 13.237 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.886 12.836 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.949 13.181 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.357 11.595 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.305 11.907 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.227 11.921 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.720 9.688 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.632 10.872 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.998 9.250 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.192 7.609 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.186 7.410 -6.602 1.00 0.00 H new ATOM 285 N ARG A 22 -8.253 9.882 -2.353 1.00 0.00 N ATOM 286 CA ARG A 22 -7.131 9.114 -1.828 1.00 0.00 C ATOM 287 C ARG A 22 -5.810 9.625 -2.395 1.00 0.00 C ATOM 288 O ARG A 22 -5.679 9.833 -3.602 1.00 0.00 O ATOM 289 CB ARG A 22 -7.301 7.631 -2.161 1.00 0.00 C ATOM 290 CG ARG A 22 -6.167 6.758 -1.649 1.00 0.00 C ATOM 291 CD ARG A 22 -6.555 5.287 -1.644 1.00 0.00 C ATOM 292 NE ARG A 22 -6.937 4.818 -2.973 1.00 0.00 N ATOM 293 CZ ARG A 22 -7.689 3.743 -3.185 1.00 0.00 C ATOM 294 NH1 ARG A 22 -8.136 3.031 -2.160 1.00 0.00 N ATOM 295 NH2 ARG A 22 -7.995 3.379 -4.424 1.00 0.00 N ATOM 0 H ARG A 22 -8.275 9.956 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.114 9.237 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.241 7.277 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.377 7.516 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.286 6.901 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.895 7.067 -0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.719 4.693 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.384 5.133 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.609 5.344 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.903 3.308 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.713 2.206 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.653 3.925 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.572 2.554 -4.585 1.00 0.00 H new ATOM 309 N TYR A 23 -4.833 9.826 -1.517 1.00 0.00 N ATOM 310 CA TYR A 23 -3.523 10.316 -1.929 1.00 0.00 C ATOM 311 C TYR A 23 -2.413 9.641 -1.130 1.00 0.00 C ATOM 312 O TYR A 23 -2.660 9.054 -0.076 1.00 0.00 O ATOM 313 CB TYR A 23 -3.444 11.834 -1.753 1.00 0.00 C ATOM 314 CG TYR A 23 -3.463 12.276 -0.307 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.528 11.952 0.525 1.00 0.00 C ATOM 316 CD2 TYR A 23 -2.418 13.020 0.226 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.550 12.355 1.847 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.431 13.426 1.547 1.00 0.00 C ATOM 319 CZ TYR A 23 -3.499 13.091 2.353 1.00 0.00 C ATOM 320 OH TYR A 23 -3.517 13.495 3.668 1.00 0.00 O ATOM 0 H TYR A 23 -4.924 9.657 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.387 10.072 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.532 12.199 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.280 12.296 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.352 11.376 0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.581 13.286 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.385 12.095 2.480 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.609 14.002 1.946 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.702 14.003 3.865 1.00 0.00 H new ATOM 330 N TYR A 24 -1.189 9.729 -1.639 1.00 0.00 N ATOM 331 CA TYR A 24 -0.040 9.126 -0.975 1.00 0.00 C ATOM 332 C TYR A 24 0.936 10.196 -0.497 1.00 0.00 C ATOM 333 O TYR A 24 1.270 11.124 -1.235 1.00 0.00 O ATOM 334 CB TYR A 24 0.671 8.157 -1.921 1.00 0.00 C ATOM 335 CG TYR A 24 -0.262 7.185 -2.606 1.00 0.00 C ATOM 336 CD1 TYR A 24 -1.365 6.664 -1.940 1.00 0.00 C ATOM 337 CD2 TYR A 24 -0.041 6.787 -3.919 1.00 0.00 C ATOM 338 CE1 TYR A 24 -2.220 5.774 -2.562 1.00 0.00 C ATOM 339 CE2 TYR A 24 -0.892 5.900 -4.549 1.00 0.00 C ATOM 340 CZ TYR A 24 -1.980 5.396 -3.867 1.00 0.00 C ATOM 341 OH TYR A 24 -2.829 4.511 -4.490 1.00 0.00 O ATOM 0 H TYR A 24 -0.967 10.212 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.402 8.576 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.206 8.729 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.418 7.596 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.557 6.960 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.811 7.178 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.071 5.377 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.706 5.603 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.699 4.519 -4.038 1.00 0.00 H new ATOM 351 N VAL A 25 1.392 10.060 0.744 1.00 0.00 N ATOM 352 CA VAL A 25 2.332 11.013 1.323 1.00 0.00 C ATOM 353 C VAL A 25 3.536 10.300 1.928 1.00 0.00 C ATOM 354 O VAL A 25 3.388 9.430 2.785 1.00 0.00 O ATOM 355 CB VAL A 25 1.660 11.875 2.408 1.00 0.00 C ATOM 356 CG1 VAL A 25 2.676 12.801 3.059 1.00 0.00 C ATOM 357 CG2 VAL A 25 0.504 12.669 1.818 1.00 0.00 C ATOM 0 H VAL A 25 1.126 9.299 1.368 1.00 0.00 H new ATOM 0 HA VAL A 25 2.667 11.659 0.512 1.00 0.00 H new ATOM 0 HB VAL A 25 1.261 11.214 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.183 13.402 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.467 12.208 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.107 13.457 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.041 13.272 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.876 13.321 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.235 11.983 1.404 1.00 0.00 H new ATOM 367 N ASN A 26 4.728 10.675 1.476 1.00 0.00 N ATOM 368 CA ASN A 26 5.958 10.071 1.973 1.00 0.00 C ATOM 369 C ASN A 26 6.475 10.818 3.199 1.00 0.00 C ATOM 370 O ASN A 26 6.378 12.043 3.280 1.00 0.00 O ATOM 371 CB ASN A 26 7.027 10.065 0.878 1.00 0.00 C ATOM 372 CG ASN A 26 8.240 9.238 1.258 1.00 0.00 C ATOM 373 OD1 ASN A 26 9.030 9.632 2.116 1.00 0.00 O ATOM 374 ND2 ASN A 26 8.393 8.085 0.618 1.00 0.00 N ATOM 0 H ASN A 26 4.868 11.394 0.766 1.00 0.00 H new ATOM 0 HA ASN A 26 5.737 9.043 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.597 9.672 -0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.339 11.089 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.191 7.486 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.713 7.798 -0.086 1.00 0.00 H new ATOM 381 N THR A 27 7.025 10.072 4.152 1.00 0.00 N ATOM 382 CA THR A 27 7.556 10.663 5.374 1.00 0.00 C ATOM 383 C THR A 27 9.069 10.830 5.291 1.00 0.00 C ATOM 384 O THR A 27 9.652 11.661 5.989 1.00 0.00 O ATOM 385 CB THR A 27 7.213 9.806 6.607 1.00 0.00 C ATOM 386 OG1 THR A 27 7.832 8.519 6.497 1.00 0.00 O ATOM 387 CG2 THR A 27 5.707 9.640 6.749 1.00 0.00 C ATOM 0 H THR A 27 7.114 9.057 4.101 1.00 0.00 H new ATOM 0 HA THR A 27 7.090 11.643 5.480 1.00 0.00 H new ATOM 0 HB THR A 27 7.591 10.316 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.610 7.981 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.489 9.031 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.242 10.619 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.310 9.150 5.860 1.00 0.00 H new ATOM 395 N THR A 28 9.701 10.037 4.432 1.00 0.00 N ATOM 396 CA THR A 28 11.147 10.098 4.257 1.00 0.00 C ATOM 397 C THR A 28 11.582 11.464 3.739 1.00 0.00 C ATOM 398 O THR A 28 12.590 12.016 4.182 1.00 0.00 O ATOM 399 CB THR A 28 11.642 9.011 3.284 1.00 0.00 C ATOM 400 OG1 THR A 28 11.279 7.715 3.772 1.00 0.00 O ATOM 401 CG2 THR A 28 13.151 9.088 3.109 1.00 0.00 C ATOM 0 H THR A 28 9.234 9.345 3.846 1.00 0.00 H new ATOM 0 HA THR A 28 11.591 9.927 5.238 1.00 0.00 H new ATOM 0 HB THR A 28 11.171 9.179 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.596 7.030 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.477 8.311 2.418 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.422 10.066 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.637 8.943 4.074 1.00 0.00 H new ATOM 409 N THR A 29 10.815 12.007 2.799 1.00 0.00 N ATOM 410 CA THR A 29 11.121 13.309 2.220 1.00 0.00 C ATOM 411 C THR A 29 9.903 14.226 2.254 1.00 0.00 C ATOM 412 O THR A 29 9.816 15.185 1.490 1.00 0.00 O ATOM 413 CB THR A 29 11.609 13.176 0.765 1.00 0.00 C ATOM 414 OG1 THR A 29 11.752 14.473 0.176 1.00 0.00 O ATOM 415 CG2 THR A 29 10.636 12.344 -0.058 1.00 0.00 C ATOM 0 H THR A 29 9.977 11.565 2.422 1.00 0.00 H new ATOM 0 HA THR A 29 11.917 13.744 2.824 1.00 0.00 H new ATOM 0 HB THR A 29 12.576 12.673 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.018 15.050 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.001 12.264 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.551 11.348 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.657 12.824 -0.059 1.00 0.00 H new ATOM 423 N ASN A 30 8.966 13.923 3.146 1.00 0.00 N ATOM 424 CA ASN A 30 7.752 14.722 3.280 1.00 0.00 C ATOM 425 C ASN A 30 7.263 15.201 1.916 1.00 0.00 C ATOM 426 O ASN A 30 6.918 16.369 1.746 1.00 0.00 O ATOM 427 CB ASN A 30 8.005 15.922 4.194 1.00 0.00 C ATOM 428 CG ASN A 30 8.518 15.510 5.561 1.00 0.00 C ATOM 429 OD1 ASN A 30 9.719 15.560 5.826 1.00 0.00 O ATOM 430 ND2 ASN A 30 7.607 15.101 6.436 1.00 0.00 N ATOM 0 H ASN A 30 9.023 13.131 3.786 1.00 0.00 H new ATOM 0 HA ASN A 30 6.980 14.093 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.728 16.588 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.080 16.487 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.892 14.812 7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.622 15.076 6.173 1.00 0.00 H new ATOM 437 N GLU A 31 7.237 14.289 0.949 1.00 0.00 N ATOM 438 CA GLU A 31 6.790 14.619 -0.399 1.00 0.00 C ATOM 439 C GLU A 31 5.324 14.245 -0.594 1.00 0.00 C ATOM 440 O GLU A 31 4.906 13.133 -0.270 1.00 0.00 O ATOM 441 CB GLU A 31 7.654 13.899 -1.437 1.00 0.00 C ATOM 442 CG GLU A 31 8.872 14.695 -1.874 1.00 0.00 C ATOM 443 CD GLU A 31 9.744 13.936 -2.855 1.00 0.00 C ATOM 444 OE1 GLU A 31 9.831 12.696 -2.736 1.00 0.00 O ATOM 445 OE2 GLU A 31 10.340 14.583 -3.742 1.00 0.00 O ATOM 0 H GLU A 31 7.520 13.317 1.074 1.00 0.00 H new ATOM 0 HA GLU A 31 6.893 15.696 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.983 12.945 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.044 13.675 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.546 15.629 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.463 14.958 -0.997 1.00 0.00 H new ATOM 452 N THR A 32 4.545 15.183 -1.124 1.00 0.00 N ATOM 453 CA THR A 32 3.125 14.954 -1.360 1.00 0.00 C ATOM 454 C THR A 32 2.864 14.580 -2.815 1.00 0.00 C ATOM 455 O THR A 32 3.406 15.195 -3.733 1.00 0.00 O ATOM 456 CB THR A 32 2.289 16.197 -1.003 1.00 0.00 C ATOM 457 OG1 THR A 32 2.713 16.727 0.257 1.00 0.00 O ATOM 458 CG2 THR A 32 0.808 15.854 -0.943 1.00 0.00 C ATOM 0 H THR A 32 4.874 16.109 -1.398 1.00 0.00 H new ATOM 0 HA THR A 32 2.826 14.127 -0.716 1.00 0.00 H new ATOM 0 HB THR A 32 2.441 16.946 -1.781 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.178 17.518 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.238 16.747 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.482 15.479 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.642 15.090 -0.184 1.00 0.00 H new ATOM 466 N THR A 33 2.027 13.566 -3.019 1.00 0.00 N ATOM 467 CA THR A 33 1.694 13.110 -4.362 1.00 0.00 C ATOM 468 C THR A 33 0.215 12.755 -4.471 1.00 0.00 C ATOM 469 O THR A 33 -0.520 12.808 -3.484 1.00 0.00 O ATOM 470 CB THR A 33 2.535 11.884 -4.764 1.00 0.00 C ATOM 471 OG1 THR A 33 2.751 11.881 -6.180 1.00 0.00 O ATOM 472 CG2 THR A 33 1.845 10.594 -4.349 1.00 0.00 C ATOM 0 H THR A 33 1.568 13.046 -2.271 1.00 0.00 H new ATOM 0 HA THR A 33 1.919 13.933 -5.040 1.00 0.00 H new ATOM 0 HB THR A 33 3.494 11.945 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.118 11.014 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.458 9.742 -4.644 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.708 10.586 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.873 10.528 -4.838 1.00 0.00 H new ATOM 480 N TRP A 34 -0.214 12.391 -5.674 1.00 0.00 N ATOM 481 CA TRP A 34 -1.607 12.026 -5.910 1.00 0.00 C ATOM 482 C TRP A 34 -1.717 10.582 -6.387 1.00 0.00 C ATOM 483 O TRP A 34 -1.399 10.273 -7.535 1.00 0.00 O ATOM 484 CB TRP A 34 -2.234 12.966 -6.941 1.00 0.00 C ATOM 485 CG TRP A 34 -2.640 14.290 -6.367 1.00 0.00 C ATOM 486 CD1 TRP A 34 -2.049 15.500 -6.598 1.00 0.00 C ATOM 487 CD2 TRP A 34 -3.726 14.537 -5.467 1.00 0.00 C ATOM 488 NE1 TRP A 34 -2.701 16.483 -5.894 1.00 0.00 N ATOM 489 CE2 TRP A 34 -3.734 15.919 -5.194 1.00 0.00 C ATOM 490 CE3 TRP A 34 -4.692 13.726 -4.866 1.00 0.00 C ATOM 491 CZ2 TRP A 34 -4.671 16.504 -4.346 1.00 0.00 C ATOM 492 CZ3 TRP A 34 -5.621 14.308 -4.025 1.00 0.00 C ATOM 493 CH2 TRP A 34 -5.605 15.686 -3.771 1.00 0.00 C ATOM 0 H TRP A 34 0.381 12.341 -6.501 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.147 12.120 -4.968 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.524 13.131 -7.751 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.108 12.484 -7.378 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.195 15.660 -7.240 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -2.455 17.473 -5.893 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.712 12.663 -5.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.661 17.566 -4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.372 13.690 -3.555 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.344 16.111 -3.108 1.00 0.00 H new ATOM 504 N GLU A 35 -2.170 9.703 -5.499 1.00 0.00 N ATOM 505 CA GLU A 35 -2.322 8.291 -5.831 1.00 0.00 C ATOM 506 C GLU A 35 -1.178 7.817 -6.723 1.00 0.00 C ATOM 507 O GLU A 35 -1.393 7.083 -7.688 1.00 0.00 O ATOM 508 CB GLU A 35 -3.662 8.050 -6.529 1.00 0.00 C ATOM 509 CG GLU A 35 -4.795 7.717 -5.573 1.00 0.00 C ATOM 510 CD GLU A 35 -4.944 6.226 -5.341 1.00 0.00 C ATOM 511 OE1 GLU A 35 -5.068 5.480 -6.335 1.00 0.00 O ATOM 512 OE2 GLU A 35 -4.935 5.805 -4.165 1.00 0.00 O ATOM 0 H GLU A 35 -2.438 9.943 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.297 7.720 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.929 8.939 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.549 7.234 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.618 8.213 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.729 8.114 -5.970 1.00 0.00 H new ATOM 519 N ARG A 36 0.037 8.242 -6.394 1.00 0.00 N ATOM 520 CA ARG A 36 1.214 7.863 -7.166 1.00 0.00 C ATOM 521 C ARG A 36 2.493 8.308 -6.462 1.00 0.00 C ATOM 522 O ARG A 36 2.848 9.487 -6.454 1.00 0.00 O ATOM 523 CB ARG A 36 1.151 8.474 -8.566 1.00 0.00 C ATOM 524 CG ARG A 36 0.283 7.688 -9.536 1.00 0.00 C ATOM 525 CD ARG A 36 0.834 7.750 -10.952 1.00 0.00 C ATOM 526 NE ARG A 36 0.626 9.060 -11.563 1.00 0.00 N ATOM 527 CZ ARG A 36 -0.495 9.413 -12.182 1.00 0.00 C ATOM 528 NH1 ARG A 36 -1.504 8.559 -12.270 1.00 0.00 N ATOM 529 NH2 ARG A 36 -0.608 10.624 -12.713 1.00 0.00 N ATOM 0 H ARG A 36 0.232 8.849 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 36 1.226 6.776 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.768 9.492 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.161 8.542 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.223 6.649 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.732 8.085 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.900 7.522 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.353 6.985 -11.562 1.00 0.00 H new ATOM 0 HE ARG A 36 1.383 9.741 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.421 7.628 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.364 8.833 -12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.166 11.285 -12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.469 10.894 -13.188 1.00 0.00 H new ATOM 543 N PRO A 37 3.201 7.344 -5.855 1.00 0.00 N ATOM 544 CA PRO A 37 4.451 7.613 -5.137 1.00 0.00 C ATOM 545 C PRO A 37 5.589 7.994 -6.078 1.00 0.00 C ATOM 546 O PRO A 37 5.363 8.305 -7.247 1.00 0.00 O ATOM 547 CB PRO A 37 4.754 6.283 -4.442 1.00 0.00 C ATOM 548 CG PRO A 37 4.072 5.256 -5.278 1.00 0.00 C ATOM 549 CD PRO A 37 2.838 5.918 -5.824 1.00 0.00 C ATOM 0 HA PRO A 37 4.355 8.455 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.827 6.100 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.377 6.276 -3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.721 4.916 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.814 4.379 -4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.588 5.545 -6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.971 5.738 -5.189 1.00 0.00 H new ATOM 557 N SER A 38 6.813 7.968 -5.559 1.00 0.00 N ATOM 558 CA SER A 38 7.987 8.314 -6.352 1.00 0.00 C ATOM 559 C SER A 38 8.917 7.114 -6.498 1.00 0.00 C ATOM 560 O SER A 38 9.119 6.602 -7.599 1.00 0.00 O ATOM 561 CB SER A 38 8.738 9.481 -5.707 1.00 0.00 C ATOM 562 OG SER A 38 9.847 9.873 -6.498 1.00 0.00 O ATOM 0 H SER A 38 7.017 7.711 -4.593 1.00 0.00 H new ATOM 0 HA SER A 38 7.650 8.612 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.062 10.326 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.080 9.193 -4.713 1.00 0.00 H new ATOM 0 HG SER A 38 10.309 10.621 -6.065 1.00 0.00 H new ATOM 568 N SER A 39 9.481 6.671 -5.379 1.00 0.00 N ATOM 569 CA SER A 39 10.393 5.533 -5.381 1.00 0.00 C ATOM 570 C SER A 39 11.684 5.874 -6.119 1.00 0.00 C ATOM 571 O SER A 39 12.212 5.060 -6.877 1.00 0.00 O ATOM 572 CB SER A 39 9.726 4.319 -6.030 1.00 0.00 C ATOM 573 OG SER A 39 10.373 3.117 -5.649 1.00 0.00 O ATOM 0 H SER A 39 9.323 7.083 -4.459 1.00 0.00 H new ATOM 0 HA SER A 39 10.639 5.293 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.676 4.278 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.753 4.422 -7.115 1.00 0.00 H new ATOM 0 HG SER A 39 11.325 3.172 -5.876 1.00 0.00 H new ATOM 579 N SER A 40 12.187 7.083 -5.891 1.00 0.00 N ATOM 580 CA SER A 40 13.415 7.534 -6.536 1.00 0.00 C ATOM 581 C SER A 40 14.639 7.106 -5.733 1.00 0.00 C ATOM 582 O SER A 40 14.911 7.646 -4.662 1.00 0.00 O ATOM 583 CB SER A 40 13.402 9.056 -6.696 1.00 0.00 C ATOM 584 OG SER A 40 14.261 9.465 -7.746 1.00 0.00 O ATOM 0 H SER A 40 11.763 7.768 -5.265 1.00 0.00 H new ATOM 0 HA SER A 40 13.470 7.072 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.386 9.395 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.714 9.526 -5.763 1.00 0.00 H new ATOM 0 HG SER A 40 14.234 10.441 -7.829 1.00 0.00 H new TER 590 SER A 40