USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=7 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 25 HIS : no HD1:sc= 1.38 K(o=1.9,f=-5.5!) USER MOD Set 1.2: B 107 TYR OH : rot 142:sc= 0.515 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 17 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.68 K(o=-1.7,f=-13!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 147:sc= 0.164 USER MOD Single : A 31 GLN :FLIP amide:sc= -1.1 F(o=-1.7,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 1.746 -10.768 -1.832 1.00 0.00 N ATOM 2 CA PRO A 5 0.413 -11.018 -2.362 1.00 0.00 C ATOM 3 C PRO A 5 -0.668 -10.356 -1.517 1.00 0.00 C ATOM 4 O PRO A 5 -1.048 -10.871 -0.464 1.00 0.00 O ATOM 5 CB PRO A 5 0.277 -12.551 -2.314 1.00 0.00 C ATOM 6 CG PRO A 5 1.547 -13.071 -1.709 1.00 0.00 C ATOM 7 CD PRO A 5 2.226 -11.906 -1.048 1.00 0.00 C ATOM 0 HA PRO A 5 0.289 -10.607 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.586 -12.846 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.128 -12.959 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.335 -13.857 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.188 -13.508 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.950 -11.819 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.312 -11.995 -1.086 1.00 0.00 H new ATOM 15 N LEU A 6 -1.160 -9.211 -1.969 1.00 0.00 N ATOM 16 CA LEU A 6 -2.190 -8.503 -1.231 1.00 0.00 C ATOM 17 C LEU A 6 -3.576 -8.964 -1.679 1.00 0.00 C ATOM 18 O LEU A 6 -3.762 -9.366 -2.831 1.00 0.00 O ATOM 19 CB LEU A 6 -2.036 -6.949 -1.320 1.00 0.00 C ATOM 20 CG LEU A 6 -2.041 -6.247 -2.713 1.00 0.00 C ATOM 21 CD1 LEU A 6 -0.909 -6.740 -3.601 1.00 0.00 C ATOM 22 CD2 LEU A 6 -3.380 -6.401 -3.420 1.00 0.00 C ATOM 0 H LEU A 6 -0.865 -8.758 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.068 -8.753 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.841 -6.508 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.100 -6.686 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.881 -5.185 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.949 -6.226 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.047 -6.535 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.012 -7.813 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.341 -5.898 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.593 -7.459 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.167 -5.956 -2.811 1.00 0.00 H new ATOM 34 N PRO A 7 -4.557 -8.941 -0.763 1.00 0.00 N ATOM 35 CA PRO A 7 -5.942 -9.271 -1.069 1.00 0.00 C ATOM 36 C PRO A 7 -6.668 -8.008 -1.480 1.00 0.00 C ATOM 37 O PRO A 7 -6.861 -7.109 -0.654 1.00 0.00 O ATOM 38 CB PRO A 7 -6.462 -9.781 0.272 1.00 0.00 C ATOM 39 CG PRO A 7 -5.701 -8.998 1.297 1.00 0.00 C ATOM 40 CD PRO A 7 -4.404 -8.552 0.651 1.00 0.00 C ATOM 0 HA PRO A 7 -6.071 -9.990 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.536 -9.620 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.289 -10.851 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.280 -8.137 1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.502 -9.609 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.255 -7.477 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.542 -9.039 1.108 1.00 0.00 H new ATOM 48 N PRO A 8 -7.090 -7.863 -2.731 1.00 0.00 N ATOM 49 CA PRO A 8 -7.339 -6.535 -3.205 1.00 0.00 C ATOM 50 C PRO A 8 -8.750 -6.017 -2.980 1.00 0.00 C ATOM 51 O PRO A 8 -9.659 -6.196 -3.793 1.00 0.00 O ATOM 52 CB PRO A 8 -7.055 -6.683 -4.700 1.00 0.00 C ATOM 53 CG PRO A 8 -7.384 -8.108 -5.035 1.00 0.00 C ATOM 54 CD PRO A 8 -7.311 -8.899 -3.746 1.00 0.00 C ATOM 0 HA PRO A 8 -6.731 -5.804 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.663 -5.993 -5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.012 -6.458 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.379 -8.180 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.682 -8.503 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.231 -9.454 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.498 -9.625 -3.764 1.00 0.00 H new ATOM 62 N GLY A 9 -8.906 -5.422 -1.802 1.00 0.00 N ATOM 63 CA GLY A 9 -9.542 -4.141 -1.656 1.00 0.00 C ATOM 64 C GLY A 9 -8.428 -3.125 -1.750 1.00 0.00 C ATOM 65 O GLY A 9 -8.620 -1.944 -2.013 1.00 0.00 O ATOM 0 H GLY A 9 -8.588 -5.828 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.286 -3.981 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.061 -4.067 -0.700 1.00 0.00 H new ATOM 69 N TRP A 10 -7.237 -3.673 -1.493 1.00 0.00 N ATOM 70 CA TRP A 10 -5.975 -2.962 -1.458 1.00 0.00 C ATOM 71 C TRP A 10 -5.357 -2.976 -2.847 1.00 0.00 C ATOM 72 O TRP A 10 -5.576 -3.911 -3.619 1.00 0.00 O ATOM 73 CB TRP A 10 -5.021 -3.694 -0.506 1.00 0.00 C ATOM 74 CG TRP A 10 -5.561 -3.905 0.876 1.00 0.00 C ATOM 75 CD1 TRP A 10 -6.516 -4.809 1.249 1.00 0.00 C ATOM 76 CD2 TRP A 10 -5.160 -3.233 2.072 1.00 0.00 C ATOM 77 NE1 TRP A 10 -6.746 -4.727 2.599 1.00 0.00 N ATOM 78 CE2 TRP A 10 -5.923 -3.769 3.129 1.00 0.00 C ATOM 79 CE3 TRP A 10 -4.235 -2.226 2.354 1.00 0.00 C ATOM 80 CZ2 TRP A 10 -5.785 -3.333 4.442 1.00 0.00 C ATOM 81 CZ3 TRP A 10 -4.097 -1.802 3.657 1.00 0.00 C ATOM 82 CH2 TRP A 10 -4.868 -2.353 4.686 1.00 0.00 C ATOM 0 H TRP A 10 -7.132 -4.668 -1.296 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.140 -1.937 -1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.772 -4.664 -0.937 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.092 -3.128 -0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -7.018 -5.490 0.577 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.419 -5.287 3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.640 -1.788 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -6.381 -3.754 5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.379 -1.029 3.889 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -4.734 -1.995 5.696 1.00 0.00 H new ATOM 93 N GLU A 11 -4.592 -1.958 -3.170 1.00 0.00 N ATOM 94 CA GLU A 11 -3.901 -1.911 -4.432 1.00 0.00 C ATOM 95 C GLU A 11 -2.440 -1.623 -4.157 1.00 0.00 C ATOM 96 O GLU A 11 -2.108 -0.988 -3.151 1.00 0.00 O ATOM 97 CB GLU A 11 -4.480 -0.856 -5.368 1.00 0.00 C ATOM 98 CG GLU A 11 -4.298 0.545 -4.851 1.00 0.00 C ATOM 99 CD GLU A 11 -4.409 1.579 -5.951 1.00 0.00 C ATOM 100 OE1 GLU A 11 -3.591 1.544 -6.889 1.00 0.00 O ATOM 101 OE2 GLU A 11 -5.305 2.440 -5.880 1.00 0.00 O ATOM 0 H GLU A 11 -4.434 -1.148 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.020 -2.871 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.004 -0.943 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.543 -1.050 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.048 0.749 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.323 0.630 -4.372 1.00 0.00 H new ATOM 108 N LYS A 12 -1.569 -2.110 -5.005 1.00 0.00 N ATOM 109 CA LYS A 12 -0.165 -1.954 -4.786 1.00 0.00 C ATOM 110 C LYS A 12 0.311 -0.656 -5.431 1.00 0.00 C ATOM 111 O LYS A 12 0.252 -0.504 -6.654 1.00 0.00 O ATOM 112 CB LYS A 12 0.571 -3.159 -5.384 1.00 0.00 C ATOM 113 CG LYS A 12 2.053 -3.157 -5.099 1.00 0.00 C ATOM 114 CD LYS A 12 2.838 -2.191 -5.981 1.00 0.00 C ATOM 115 CE LYS A 12 2.729 -2.543 -7.461 1.00 0.00 C ATOM 116 NZ LYS A 12 3.619 -1.694 -8.298 1.00 0.00 N ATOM 0 H LYS A 12 -1.815 -2.618 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 12 0.045 -1.905 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.134 -4.076 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.416 -3.172 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.214 -2.895 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.444 -4.165 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.471 -1.177 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.887 -2.200 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.987 -3.592 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.697 -2.421 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.517 -1.963 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.357 -0.695 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.607 -1.830 -8.002 1.00 0.00 H new ATOM 130 N ARG A 13 0.776 0.279 -4.610 1.00 0.00 N ATOM 131 CA ARG A 13 1.364 1.511 -5.116 1.00 0.00 C ATOM 132 C ARG A 13 2.738 1.730 -4.498 1.00 0.00 C ATOM 133 O ARG A 13 3.008 1.302 -3.375 1.00 0.00 O ATOM 134 CB ARG A 13 0.447 2.717 -4.853 1.00 0.00 C ATOM 135 CG ARG A 13 -0.875 2.639 -5.606 1.00 0.00 C ATOM 136 CD ARG A 13 -1.852 3.734 -5.187 1.00 0.00 C ATOM 137 NE ARG A 13 -1.457 5.070 -5.633 1.00 0.00 N ATOM 138 CZ ARG A 13 -1.987 6.190 -5.143 1.00 0.00 C ATOM 139 NH1 ARG A 13 -2.862 6.132 -4.147 1.00 0.00 N ATOM 140 NH2 ARG A 13 -1.642 7.366 -5.641 1.00 0.00 N ATOM 0 H ARG A 13 0.757 0.206 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 13 1.478 1.415 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.246 2.786 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.968 3.631 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.685 2.717 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.331 1.664 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.839 3.503 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.942 3.734 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.740 5.148 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.130 5.229 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.267 6.990 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.967 7.419 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.051 8.220 -5.262 1.00 0.00 H new ATOM 154 N THR A 14 3.602 2.367 -5.263 1.00 0.00 N ATOM 155 CA THR A 14 4.954 2.674 -4.833 1.00 0.00 C ATOM 156 C THR A 14 5.097 4.179 -4.706 1.00 0.00 C ATOM 157 O THR A 14 4.410 4.924 -5.411 1.00 0.00 O ATOM 158 CB THR A 14 6.008 2.152 -5.844 1.00 0.00 C ATOM 159 OG1 THR A 14 5.340 1.588 -6.985 1.00 0.00 O ATOM 160 CG2 THR A 14 6.910 1.101 -5.216 1.00 0.00 C ATOM 0 H THR A 14 3.386 2.689 -6.206 1.00 0.00 H new ATOM 0 HA THR A 14 5.128 2.182 -3.876 1.00 0.00 H new ATOM 0 HB THR A 14 6.629 2.994 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.006 1.260 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.636 0.758 -5.953 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.434 1.534 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.307 0.257 -4.881 1.00 0.00 H new ATOM 168 N ASP A 15 5.956 4.631 -3.817 1.00 0.00 N ATOM 169 CA ASP A 15 6.295 6.035 -3.792 1.00 0.00 C ATOM 170 C ASP A 15 7.466 6.161 -4.725 1.00 0.00 C ATOM 171 O ASP A 15 8.245 5.215 -4.841 1.00 0.00 O ATOM 172 CB ASP A 15 6.575 6.589 -2.378 1.00 0.00 C ATOM 173 CG ASP A 15 7.788 6.006 -1.677 1.00 0.00 C ATOM 174 OD1 ASP A 15 8.926 6.185 -2.167 1.00 0.00 O ATOM 175 OD2 ASP A 15 7.606 5.421 -0.591 1.00 0.00 O ATOM 0 H ASP A 15 6.424 4.058 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 15 5.453 6.649 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.702 7.669 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.697 6.411 -1.757 1.00 0.00 H new ATOM 180 N SER A 16 7.608 7.318 -5.354 1.00 0.00 N ATOM 181 CA SER A 16 8.052 7.421 -6.744 1.00 0.00 C ATOM 182 C SER A 16 8.971 6.280 -7.201 1.00 0.00 C ATOM 183 O SER A 16 8.620 5.562 -8.140 1.00 0.00 O ATOM 184 CB SER A 16 8.756 8.762 -6.935 1.00 0.00 C ATOM 185 OG SER A 16 7.937 9.828 -6.475 1.00 0.00 O ATOM 0 H SER A 16 7.418 8.219 -4.916 1.00 0.00 H new ATOM 0 HA SER A 16 7.160 7.345 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.701 8.763 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.993 8.907 -7.989 1.00 0.00 H new ATOM 0 HG SER A 16 8.405 10.679 -6.604 1.00 0.00 H new ATOM 191 N ASN A 17 10.117 6.087 -6.573 1.00 0.00 N ATOM 192 CA ASN A 17 11.027 5.068 -7.063 1.00 0.00 C ATOM 193 C ASN A 17 10.780 3.700 -6.411 1.00 0.00 C ATOM 194 O ASN A 17 10.148 2.817 -6.992 1.00 0.00 O ATOM 195 CB ASN A 17 12.485 5.508 -6.872 1.00 0.00 C ATOM 196 CG ASN A 17 13.482 4.533 -7.477 1.00 0.00 C ATOM 197 OD1 ASN A 17 13.806 4.608 -8.664 1.00 0.00 O ATOM 198 ND2 ASN A 17 13.991 3.630 -6.656 1.00 0.00 N ATOM 0 H ASN A 17 10.432 6.602 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 17 10.832 4.950 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.625 6.490 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.690 5.615 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.680 2.960 -6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.695 3.603 -5.680 1.00 0.00 H new ATOM 205 N GLY A 18 11.306 3.555 -5.205 1.00 0.00 N ATOM 206 CA GLY A 18 11.501 2.247 -4.608 1.00 0.00 C ATOM 207 C GLY A 18 10.380 1.701 -3.759 1.00 0.00 C ATOM 208 O GLY A 18 10.039 0.525 -3.863 1.00 0.00 O ATOM 0 H GLY A 18 11.607 4.334 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.694 1.535 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.401 2.287 -3.994 1.00 0.00 H new ATOM 212 N ARG A 19 9.808 2.533 -2.910 1.00 0.00 N ATOM 213 CA ARG A 19 9.148 2.020 -1.717 1.00 0.00 C ATOM 214 C ARG A 19 7.686 1.703 -1.968 1.00 0.00 C ATOM 215 O ARG A 19 6.887 2.568 -2.322 1.00 0.00 O ATOM 216 CB ARG A 19 9.271 3.026 -0.583 1.00 0.00 C ATOM 217 CG ARG A 19 8.850 2.494 0.776 1.00 0.00 C ATOM 218 CD ARG A 19 8.754 3.618 1.799 1.00 0.00 C ATOM 219 NE ARG A 19 10.059 4.205 2.131 1.00 0.00 N ATOM 220 CZ ARG A 19 10.426 5.442 1.779 1.00 0.00 C ATOM 221 NH1 ARG A 19 9.659 6.161 0.972 1.00 0.00 N ATOM 222 NH2 ARG A 19 11.579 5.951 2.204 1.00 0.00 N ATOM 0 H ARG A 19 9.784 3.547 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 19 9.645 1.090 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.306 3.363 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.665 3.900 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.886 1.992 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.568 1.748 1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.098 4.398 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.292 3.235 2.709 1.00 0.00 H new ATOM 0 HE ARG A 19 10.722 3.638 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.786 5.771 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.942 7.104 0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.191 5.397 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.851 6.895 1.931 1.00 0.00 H new ATOM 236 N VAL A 20 7.360 0.439 -1.771 1.00 0.00 N ATOM 237 CA VAL A 20 6.017 -0.064 -1.997 1.00 0.00 C ATOM 238 C VAL A 20 5.251 -0.165 -0.684 1.00 0.00 C ATOM 239 O VAL A 20 5.825 -0.456 0.369 1.00 0.00 O ATOM 240 CB VAL A 20 6.044 -1.447 -2.697 1.00 0.00 C ATOM 241 CG1 VAL A 20 6.839 -2.457 -1.885 1.00 0.00 C ATOM 242 CG2 VAL A 20 4.633 -1.960 -2.957 1.00 0.00 C ATOM 0 H VAL A 20 8.020 -0.269 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 20 5.508 0.644 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 20 6.540 -1.318 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.841 -3.418 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.864 -2.105 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.383 -2.573 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.684 -2.931 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.102 -2.060 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.102 -1.256 -3.598 1.00 0.00 H new ATOM 252 N TYR A 21 3.961 0.100 -0.755 1.00 0.00 N ATOM 253 CA TYR A 21 3.087 0.000 0.390 1.00 0.00 C ATOM 254 C TYR A 21 1.688 -0.402 -0.055 1.00 0.00 C ATOM 255 O TYR A 21 1.273 -0.096 -1.176 1.00 0.00 O ATOM 256 CB TYR A 21 3.071 1.321 1.171 1.00 0.00 C ATOM 257 CG TYR A 21 2.708 2.538 0.336 1.00 0.00 C ATOM 258 CD1 TYR A 21 1.384 2.912 0.143 1.00 0.00 C ATOM 259 CD2 TYR A 21 3.701 3.314 -0.265 1.00 0.00 C ATOM 260 CE1 TYR A 21 1.058 4.018 -0.620 1.00 0.00 C ATOM 261 CE2 TYR A 21 3.380 4.421 -1.026 1.00 0.00 C ATOM 262 CZ TYR A 21 2.056 4.768 -1.200 1.00 0.00 C ATOM 263 OH TYR A 21 1.729 5.873 -1.957 1.00 0.00 O ATOM 0 H TYR A 21 3.491 0.391 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 21 3.464 -0.773 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.361 1.235 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.054 1.479 1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.596 2.329 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.738 3.044 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.023 4.293 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.161 5.012 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 21 2.548 6.293 -2.294 1.00 0.00 H new ATOM 273 N PHE A 22 0.974 -1.105 0.809 1.00 0.00 N ATOM 274 CA PHE A 22 -0.365 -1.559 0.483 1.00 0.00 C ATOM 275 C PHE A 22 -1.377 -0.503 0.902 1.00 0.00 C ATOM 276 O PHE A 22 -1.539 -0.197 2.086 1.00 0.00 O ATOM 277 CB PHE A 22 -0.663 -2.901 1.157 1.00 0.00 C ATOM 278 CG PHE A 22 0.235 -4.031 0.710 1.00 0.00 C ATOM 279 CD1 PHE A 22 1.036 -3.898 -0.414 1.00 0.00 C ATOM 280 CD2 PHE A 22 0.275 -5.226 1.415 1.00 0.00 C ATOM 281 CE1 PHE A 22 1.853 -4.929 -0.829 1.00 0.00 C ATOM 282 CE2 PHE A 22 1.093 -6.262 1.003 1.00 0.00 C ATOM 283 CZ PHE A 22 1.884 -6.111 -0.118 1.00 0.00 C ATOM 0 H PHE A 22 1.299 -1.372 1.738 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.437 -1.708 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.568 -2.782 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.699 -3.174 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.020 -2.974 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.339 -5.348 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.468 -4.811 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.113 -7.188 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.527 -6.918 -0.438 1.00 0.00 H new ATOM 293 N VAL A 23 -2.041 0.067 -0.081 1.00 0.00 N ATOM 294 CA VAL A 23 -2.933 1.181 0.146 1.00 0.00 C ATOM 295 C VAL A 23 -4.386 0.795 -0.126 1.00 0.00 C ATOM 296 O VAL A 23 -4.715 0.222 -1.165 1.00 0.00 O ATOM 297 CB VAL A 23 -2.505 2.382 -0.726 1.00 0.00 C ATOM 298 CG1 VAL A 23 -2.244 1.950 -2.163 1.00 0.00 C ATOM 299 CG2 VAL A 23 -3.535 3.497 -0.673 1.00 0.00 C ATOM 0 H VAL A 23 -1.977 -0.228 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.867 1.468 1.195 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.573 2.771 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.944 2.815 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.448 1.205 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.153 1.520 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.205 4.328 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.492 3.126 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.649 3.839 0.356 1.00 0.00 H new ATOM 309 N ASN A 24 -5.247 1.094 0.834 1.00 0.00 N ATOM 310 CA ASN A 24 -6.661 0.780 0.720 1.00 0.00 C ATOM 311 C ASN A 24 -7.478 2.068 0.764 1.00 0.00 C ATOM 312 O ASN A 24 -7.459 2.784 1.764 1.00 0.00 O ATOM 313 CB ASN A 24 -7.064 -0.163 1.860 1.00 0.00 C ATOM 314 CG ASN A 24 -8.482 -0.692 1.743 1.00 0.00 C ATOM 315 OD1 ASN A 24 -9.379 -0.018 1.247 1.00 0.00 O ATOM 316 ND2 ASN A 24 -8.689 -1.920 2.198 1.00 0.00 N ATOM 0 H ASN A 24 -4.988 1.557 1.706 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.856 0.283 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.372 -1.005 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.959 0.363 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.619 -2.335 2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.918 -2.450 2.604 1.00 0.00 H new ATOM 323 N HIS A 25 -8.196 2.359 -0.318 1.00 0.00 N ATOM 324 CA HIS A 25 -8.948 3.612 -0.424 1.00 0.00 C ATOM 325 C HIS A 25 -10.260 3.535 0.342 1.00 0.00 C ATOM 326 O HIS A 25 -10.804 4.555 0.757 1.00 0.00 O ATOM 327 CB HIS A 25 -9.240 3.959 -1.885 1.00 0.00 C ATOM 328 CG HIS A 25 -8.018 4.143 -2.733 1.00 0.00 C ATOM 329 ND1 HIS A 25 -7.483 5.376 -3.045 1.00 0.00 N ATOM 330 CD2 HIS A 25 -7.239 3.235 -3.357 1.00 0.00 C ATOM 331 CE1 HIS A 25 -6.433 5.211 -3.826 1.00 0.00 C ATOM 332 NE2 HIS A 25 -6.262 3.919 -4.030 1.00 0.00 N ATOM 0 H HIS A 25 -8.275 1.749 -1.132 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.326 4.394 0.012 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.853 3.168 -2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.831 4.874 -1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.364 2.163 -3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.817 6.001 -4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.524 3.499 -4.595 1.00 0.00 H new ATOM 341 N ASN A 26 -10.758 2.322 0.532 1.00 0.00 N ATOM 342 CA ASN A 26 -12.019 2.114 1.232 1.00 0.00 C ATOM 343 C ASN A 26 -11.912 2.601 2.675 1.00 0.00 C ATOM 344 O ASN A 26 -12.771 3.337 3.161 1.00 0.00 O ATOM 345 CB ASN A 26 -12.403 0.629 1.189 1.00 0.00 C ATOM 346 CG ASN A 26 -13.637 0.307 2.012 1.00 0.00 C ATOM 347 OD1 ASN A 26 -13.541 -0.014 3.194 1.00 0.00 O ATOM 348 ND2 ASN A 26 -14.805 0.370 1.395 1.00 0.00 N ATOM 0 H ASN A 26 -10.308 1.465 0.211 1.00 0.00 H new ATOM 0 HA ASN A 26 -12.799 2.690 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.578 0.335 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.566 0.033 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -15.662 0.148 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.849 0.640 0.412 1.00 0.00 H new ATOM 355 N THR A 27 -10.845 2.198 3.349 1.00 0.00 N ATOM 356 CA THR A 27 -10.596 2.631 4.714 1.00 0.00 C ATOM 357 C THR A 27 -9.767 3.918 4.748 1.00 0.00 C ATOM 358 O THR A 27 -9.769 4.634 5.752 1.00 0.00 O ATOM 359 CB THR A 27 -9.900 1.530 5.538 1.00 0.00 C ATOM 360 OG1 THR A 27 -9.655 1.984 6.873 1.00 0.00 O ATOM 361 CG2 THR A 27 -8.588 1.088 4.900 1.00 0.00 C ATOM 0 H THR A 27 -10.136 1.570 2.970 1.00 0.00 H new ATOM 0 HA THR A 27 -11.567 2.834 5.166 1.00 0.00 H new ATOM 0 HB THR A 27 -10.572 0.672 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.214 1.274 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.129 0.311 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.783 0.696 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.912 1.940 4.830 1.00 0.00 H new ATOM 369 N ARG A 28 -9.072 4.200 3.644 1.00 0.00 N ATOM 370 CA ARG A 28 -8.168 5.352 3.536 1.00 0.00 C ATOM 371 C ARG A 28 -6.970 5.193 4.473 1.00 0.00 C ATOM 372 O ARG A 28 -6.517 6.154 5.094 1.00 0.00 O ATOM 373 CB ARG A 28 -8.884 6.683 3.820 1.00 0.00 C ATOM 374 CG ARG A 28 -10.009 7.007 2.845 1.00 0.00 C ATOM 375 CD ARG A 28 -10.405 8.471 2.921 1.00 0.00 C ATOM 376 NE ARG A 28 -9.434 9.337 2.251 1.00 0.00 N ATOM 377 CZ ARG A 28 -8.811 10.360 2.833 1.00 0.00 C ATOM 378 NH1 ARG A 28 -9.028 10.654 4.104 1.00 0.00 N ATOM 379 NH2 ARG A 28 -7.968 11.096 2.133 1.00 0.00 N ATOM 0 H ARG A 28 -9.119 3.635 2.796 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.815 5.379 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.291 6.655 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.151 7.490 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.693 6.766 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.875 6.383 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.386 8.605 2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.496 8.768 3.966 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.220 9.144 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.680 10.094 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.543 11.441 4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.796 10.880 1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.488 11.881 2.574 1.00 0.00 H new ATOM 393 N ILE A 29 -6.441 3.980 4.546 1.00 0.00 N ATOM 394 CA ILE A 29 -5.290 3.693 5.394 1.00 0.00 C ATOM 395 C ILE A 29 -4.183 3.042 4.577 1.00 0.00 C ATOM 396 O ILE A 29 -4.432 2.112 3.806 1.00 0.00 O ATOM 397 CB ILE A 29 -5.667 2.771 6.578 1.00 0.00 C ATOM 398 CG1 ILE A 29 -6.690 3.452 7.494 1.00 0.00 C ATOM 399 CG2 ILE A 29 -4.431 2.365 7.374 1.00 0.00 C ATOM 400 CD1 ILE A 29 -6.191 4.729 8.145 1.00 0.00 C ATOM 0 H ILE A 29 -6.791 3.175 4.027 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.939 4.642 5.799 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.118 1.869 6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.585 3.679 6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.985 2.751 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.726 1.717 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.739 1.831 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.943 3.256 7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.976 5.146 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.314 4.508 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.924 5.451 7.373 1.00 0.00 H new ATOM 412 N THR A 30 -2.971 3.554 4.724 1.00 0.00 N ATOM 413 CA THR A 30 -1.804 2.960 4.095 1.00 0.00 C ATOM 414 C THR A 30 -1.069 2.057 5.082 1.00 0.00 C ATOM 415 O THR A 30 -0.556 2.525 6.101 1.00 0.00 O ATOM 416 CB THR A 30 -0.847 4.054 3.591 1.00 0.00 C ATOM 417 OG1 THR A 30 -0.831 5.149 4.521 1.00 0.00 O ATOM 418 CG2 THR A 30 -1.263 4.558 2.221 1.00 0.00 C ATOM 0 H THR A 30 -2.770 4.386 5.278 1.00 0.00 H new ATOM 0 HA THR A 30 -2.143 2.364 3.247 1.00 0.00 H new ATOM 0 HB THR A 30 0.151 3.622 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.063 5.550 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.568 5.330 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.251 3.732 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.269 4.975 2.277 1.00 0.00 H new ATOM 426 N GLN A 31 -1.025 0.766 4.788 1.00 0.00 N ATOM 427 CA GLN A 31 -0.403 -0.194 5.690 1.00 0.00 C ATOM 428 C GLN A 31 0.685 -0.994 4.979 1.00 0.00 C ATOM 429 O GLN A 31 0.607 -1.244 3.778 1.00 0.00 O ATOM 430 CB GLN A 31 -1.452 -1.140 6.285 1.00 0.00 C ATOM 431 CG GLN A 31 -2.514 -0.432 7.111 1.00 0.00 C ATOM 432 CD GLN A 31 -3.492 -1.390 7.763 1.00 0.00 C ATOM 433 OE1 GLN A 31 -4.720 -0.935 7.958 1.00 0.00 O flip ATOM 434 NE2 GLN A 31 -3.152 -2.527 8.092 1.00 0.00 N flip ATOM 0 H GLN A 31 -1.411 0.359 3.936 1.00 0.00 H new ATOM 0 HA GLN A 31 0.061 0.367 6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.937 -1.685 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.950 -1.878 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.028 0.164 7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.063 0.260 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.196 -2.842 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.826 -3.154 8.531 1.00 0.00 H new ATOM 443 N TRP A 32 1.711 -1.370 5.730 1.00 0.00 N ATOM 444 CA TRP A 32 2.794 -2.189 5.194 1.00 0.00 C ATOM 445 C TRP A 32 2.384 -3.655 5.130 1.00 0.00 C ATOM 446 O TRP A 32 2.754 -4.376 4.208 1.00 0.00 O ATOM 447 CB TRP A 32 4.050 -2.080 6.067 1.00 0.00 C ATOM 448 CG TRP A 32 4.674 -0.721 6.101 1.00 0.00 C ATOM 449 CD1 TRP A 32 4.279 0.342 6.857 1.00 0.00 C ATOM 450 CD2 TRP A 32 5.826 -0.291 5.368 1.00 0.00 C ATOM 451 NE1 TRP A 32 5.111 1.411 6.636 1.00 0.00 N ATOM 452 CE2 TRP A 32 6.067 1.049 5.723 1.00 0.00 C ATOM 453 CE3 TRP A 32 6.674 -0.907 4.443 1.00 0.00 C ATOM 454 CZ2 TRP A 32 7.122 1.785 5.188 1.00 0.00 C ATOM 455 CZ3 TRP A 32 7.722 -0.175 3.911 1.00 0.00 C ATOM 456 CH2 TRP A 32 7.935 1.158 4.285 1.00 0.00 C ATOM 0 H TRP A 32 1.818 -1.122 6.713 1.00 0.00 H new ATOM 0 HA TRP A 32 3.009 -1.819 4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.794 -2.373 7.085 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.789 -2.795 5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 32 3.435 0.343 7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.031 2.326 7.079 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.515 -1.934 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 7.291 2.812 5.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.386 -0.639 3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 32 8.760 1.703 3.850 1.00 0.00 H new ATOM 467 N GLU A 33 1.616 -4.080 6.121 1.00 0.00 N ATOM 468 CA GLU A 33 1.323 -5.489 6.314 1.00 0.00 C ATOM 469 C GLU A 33 0.014 -5.878 5.636 1.00 0.00 C ATOM 470 O GLU A 33 -0.970 -5.143 5.689 1.00 0.00 O ATOM 471 CB GLU A 33 1.275 -5.788 7.814 1.00 0.00 C ATOM 472 CG GLU A 33 1.296 -7.268 8.159 1.00 0.00 C ATOM 473 CD GLU A 33 1.612 -7.508 9.622 1.00 0.00 C ATOM 474 OE1 GLU A 33 2.807 -7.484 9.987 1.00 0.00 O ATOM 475 OE2 GLU A 33 0.669 -7.709 10.422 1.00 0.00 O ATOM 0 H GLU A 33 1.182 -3.463 6.808 1.00 0.00 H new ATOM 0 HA GLU A 33 2.111 -6.084 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.123 -5.303 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.373 -5.342 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.328 -7.709 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.038 -7.773 7.541 1.00 0.00 H new ATOM 482 N ASP A 34 0.027 -7.034 4.991 1.00 0.00 N ATOM 483 CA ASP A 34 -1.139 -7.555 4.289 1.00 0.00 C ATOM 484 C ASP A 34 -2.003 -8.421 5.209 1.00 0.00 C ATOM 485 O ASP A 34 -1.572 -9.475 5.678 1.00 0.00 O ATOM 486 CB ASP A 34 -0.697 -8.357 3.052 1.00 0.00 C ATOM 487 CG ASP A 34 0.477 -9.288 3.331 1.00 0.00 C ATOM 488 OD1 ASP A 34 1.596 -8.786 3.543 1.00 0.00 O ATOM 489 OD2 ASP A 34 0.284 -10.523 3.333 1.00 0.00 O ATOM 0 H ASP A 34 0.846 -7.639 4.939 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.745 -6.709 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.540 -8.944 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.423 -7.664 2.256 1.00 0.00 H new ATOM 494 N PRO A 35 -3.237 -7.962 5.496 1.00 0.00 N ATOM 495 CA PRO A 35 -4.180 -8.701 6.339 1.00 0.00 C ATOM 496 C PRO A 35 -4.598 -10.041 5.724 1.00 0.00 C ATOM 497 CB PRO A 35 -5.389 -7.766 6.481 1.00 0.00 C ATOM 498 CG PRO A 35 -5.213 -6.674 5.476 1.00 0.00 C ATOM 499 CD PRO A 35 -3.773 -6.669 5.045 1.00 0.00 C ATOM 0 HA PRO A 35 -3.729 -8.960 7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.319 -8.307 6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.445 -7.357 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.867 -6.835 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.485 -5.711 5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.685 -6.560 3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.229 -5.838 5.494 1.00 0.00 H new ATOM 554 N PRO B 104 6.732 5.283 7.397 1.00 0.00 N ATOM 555 CA PRO B 104 5.612 5.093 6.476 1.00 0.00 C ATOM 556 C PRO B 104 5.109 6.418 5.914 1.00 0.00 C ATOM 557 O PRO B 104 5.187 7.452 6.582 1.00 0.00 O ATOM 558 CB PRO B 104 4.543 4.452 7.361 1.00 0.00 C ATOM 559 CG PRO B 104 4.831 4.956 8.734 1.00 0.00 C ATOM 560 CD PRO B 104 6.321 5.165 8.808 1.00 0.00 C ATOM 0 HA PRO B 104 5.884 4.494 5.607 1.00 0.00 H new ATOM 0 HB2 PRO B 104 3.541 4.735 7.038 1.00 0.00 H new ATOM 0 HB3 PRO B 104 4.596 3.364 7.320 1.00 0.00 H new ATOM 0 HG2 PRO B 104 4.298 5.888 8.925 1.00 0.00 H new ATOM 0 HG3 PRO B 104 4.502 4.240 9.487 1.00 0.00 H new ATOM 0 HD2 PRO B 104 6.571 6.063 9.374 1.00 0.00 H new ATOM 0 HD3 PRO B 104 6.818 4.329 9.301 1.00 0.00 H new ATOM 568 N PRO B 105 4.597 6.412 4.678 1.00 0.00 N ATOM 569 CA PRO B 105 3.958 7.585 4.100 1.00 0.00 C ATOM 570 C PRO B 105 2.537 7.766 4.632 1.00 0.00 C ATOM 571 O PRO B 105 1.852 6.786 4.940 1.00 0.00 O ATOM 572 CB PRO B 105 3.945 7.290 2.589 1.00 0.00 C ATOM 573 CG PRO B 105 4.654 5.981 2.413 1.00 0.00 C ATOM 574 CD PRO B 105 4.612 5.289 3.744 1.00 0.00 C ATOM 0 HA PRO B 105 4.482 8.508 4.348 1.00 0.00 H new ATOM 0 HB2 PRO B 105 2.924 7.233 2.212 1.00 0.00 H new ATOM 0 HB3 PRO B 105 4.447 8.082 2.033 1.00 0.00 H new ATOM 0 HG2 PRO B 105 4.168 5.377 1.647 1.00 0.00 H new ATOM 0 HG3 PRO B 105 5.683 6.138 2.090 1.00 0.00 H new ATOM 0 HD2 PRO B 105 3.727 4.661 3.848 1.00 0.00 H new ATOM 0 HD3 PRO B 105 5.479 4.646 3.895 1.00 0.00 H new ATOM 582 N PRO B 106 2.071 9.017 4.736 1.00 0.00 N ATOM 583 CA PRO B 106 0.701 9.316 5.135 1.00 0.00 C ATOM 584 C PRO B 106 -0.279 9.108 3.987 1.00 0.00 C ATOM 585 O PRO B 106 0.082 9.272 2.819 1.00 0.00 O ATOM 586 CB PRO B 106 0.746 10.798 5.539 1.00 0.00 C ATOM 587 CG PRO B 106 2.180 11.218 5.425 1.00 0.00 C ATOM 588 CD PRO B 106 2.833 10.245 4.490 1.00 0.00 C ATOM 0 HA PRO B 106 0.359 8.662 5.937 1.00 0.00 H new ATOM 0 HB2 PRO B 106 0.111 11.399 4.888 1.00 0.00 H new ATOM 0 HB3 PRO B 106 0.380 10.936 6.556 1.00 0.00 H new ATOM 0 HG2 PRO B 106 2.257 12.236 5.043 1.00 0.00 H new ATOM 0 HG3 PRO B 106 2.667 11.206 6.400 1.00 0.00 H new ATOM 0 HD2 PRO B 106 2.760 10.568 3.451 1.00 0.00 H new ATOM 0 HD3 PRO B 106 3.893 10.117 4.711 1.00 0.00 H new ATOM 596 N TYR B 107 -1.507 8.724 4.306 1.00 0.00 N ATOM 597 CA TYR B 107 -2.530 8.589 3.282 1.00 0.00 C ATOM 598 C TYR B 107 -3.065 9.962 2.899 1.00 0.00 C ATOM 599 O TYR B 107 -3.691 10.642 3.712 1.00 0.00 O ATOM 600 CB TYR B 107 -3.681 7.679 3.737 1.00 0.00 C ATOM 601 CG TYR B 107 -4.688 7.396 2.640 1.00 0.00 C ATOM 602 CD1 TYR B 107 -5.622 8.354 2.267 1.00 0.00 C ATOM 603 CD2 TYR B 107 -4.692 6.180 1.967 1.00 0.00 C ATOM 604 CE1 TYR B 107 -6.531 8.109 1.260 1.00 0.00 C ATOM 605 CE2 TYR B 107 -5.599 5.932 0.954 1.00 0.00 C ATOM 606 CZ TYR B 107 -6.514 6.899 0.607 1.00 0.00 C ATOM 607 OH TYR B 107 -7.405 6.661 -0.410 1.00 0.00 O ATOM 0 H TYR B 107 -1.815 8.503 5.253 1.00 0.00 H new ATOM 0 HA TYR B 107 -2.069 8.122 2.412 1.00 0.00 H new ATOM 0 HB2 TYR B 107 -3.270 6.736 4.096 1.00 0.00 H new ATOM 0 HB3 TYR B 107 -4.192 8.145 4.579 1.00 0.00 H new ATOM 0 HD1 TYR B 107 -5.636 9.307 2.775 1.00 0.00 H new ATOM 0 HD2 TYR B 107 -3.976 5.418 2.239 1.00 0.00 H new ATOM 0 HE1 TYR B 107 -7.253 8.864 0.985 1.00 0.00 H new ATOM 0 HE2 TYR B 107 -5.589 4.984 0.437 1.00 0.00 H new ATOM 0 HH TYR B 107 -6.965 6.143 -1.116 1.00 0.00 H new ATOM 617 N GLU B 108 -2.807 10.362 1.667 1.00 0.00 N ATOM 618 CA GLU B 108 -3.312 11.621 1.149 1.00 0.00 C ATOM 619 C GLU B 108 -4.284 11.341 0.002 1.00 0.00 C ATOM 620 O GLU B 108 -5.412 11.836 -0.018 1.00 0.00 O ATOM 621 CB GLU B 108 -2.148 12.493 0.664 1.00 0.00 C ATOM 622 CG GLU B 108 -2.548 13.918 0.308 1.00 0.00 C ATOM 623 CD GLU B 108 -2.867 14.759 1.529 1.00 0.00 C ATOM 624 OE1 GLU B 108 -4.003 14.685 2.032 1.00 0.00 O ATOM 625 OE2 GLU B 108 -1.980 15.518 1.979 1.00 0.00 O ATOM 0 H GLU B 108 -2.247 9.829 1.002 1.00 0.00 H new ATOM 0 HA GLU B 108 -3.837 12.157 1.939 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -1.383 12.524 1.440 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -1.696 12.024 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -1.740 14.389 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -3.418 13.894 -0.349 1.00 0.00 H new