USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 Single : A 1 GLY N :NH3+ -128:sc= 0.0672 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 44:sc= 0.0376 USER MOD Single : A 4 SER OG : rot 43:sc= 0.378 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0703 F(o=-1.4!,f=-0.07) USER MOD Single : A 11 HIS : no HD1:sc= -0.0887 X(o=-0.089,f=-0.004) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 41:sc= 0.00591 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0446) USER MOD Single : A 32 ASN : amide:sc= -0.0747 K(o=-0.075,f=-1.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.26! USER MOD Single : A 42 TYR OH : rot 150:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.13) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.668 K(o=-0.67,f=-2!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.322 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0961 USER MOD Single : A 67 MET CE :methyl 154:sc=-0.000664 (180deg=-0.678) USER MOD Single : A 69 THR OG1 : rot 100:sc= 0.927 USER MOD Single : A 71 SER OG : rot 46:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.779 -1.850 -3.787 1.00 35.34 N ATOM 2 CA GLY A 1 5.609 -2.633 -4.732 1.00 55.43 C ATOM 3 C GLY A 1 6.050 -3.955 -4.136 1.00 51.14 C ATOM 4 O GLY A 1 5.450 -4.424 -3.172 1.00 72.35 O ATOM 0 H1 GLY A 1 3.895 -1.565 -4.255 1.00 35.34 H new ATOM 0 H2 GLY A 1 4.558 -2.432 -2.954 1.00 35.34 H new ATOM 0 H3 GLY A 1 5.301 -1.002 -3.487 1.00 35.34 H new ATOM 0 HA2 GLY A 1 5.043 -2.817 -5.645 1.00 55.43 H new ATOM 0 HA3 GLY A 1 6.487 -2.051 -5.013 1.00 55.43 H new ATOM 10 N PRO A 2 7.105 -4.581 -4.679 1.00 72.10 N ATOM 11 CA PRO A 2 7.581 -5.887 -4.218 1.00 11.23 C ATOM 12 C PRO A 2 8.512 -5.792 -3.006 1.00 35.21 C ATOM 13 O PRO A 2 9.233 -6.739 -2.689 1.00 11.13 O ATOM 14 CB PRO A 2 8.341 -6.413 -5.432 1.00 52.12 C ATOM 15 CG PRO A 2 8.887 -5.191 -6.089 1.00 45.52 C ATOM 16 CD PRO A 2 7.918 -4.071 -5.800 1.00 34.41 C ATOM 0 HA PRO A 2 6.763 -6.525 -3.884 1.00 11.23 H new ATOM 0 HB2 PRO A 2 9.139 -7.095 -5.136 1.00 52.12 H new ATOM 0 HB3 PRO A 2 7.683 -6.964 -6.104 1.00 52.12 H new ATOM 0 HG2 PRO A 2 9.878 -4.954 -5.702 1.00 45.52 H new ATOM 0 HG3 PRO A 2 8.992 -5.344 -7.163 1.00 45.52 H new ATOM 0 HD2 PRO A 2 8.439 -3.153 -5.529 1.00 34.41 H new ATOM 0 HD3 PRO A 2 7.301 -3.843 -6.669 1.00 34.41 H new ATOM 24 N THR A 3 8.491 -4.649 -2.340 1.00 75.23 N ATOM 25 CA THR A 3 9.310 -4.436 -1.162 1.00 20.44 C ATOM 26 C THR A 3 8.619 -4.960 0.093 1.00 14.14 C ATOM 27 O THR A 3 7.595 -4.427 0.518 1.00 41.35 O ATOM 28 CB THR A 3 9.635 -2.944 -0.986 1.00 44.42 C ATOM 29 OG1 THR A 3 8.484 -2.152 -1.323 1.00 62.22 O ATOM 30 CG2 THR A 3 10.814 -2.539 -1.855 1.00 1.30 C ATOM 0 H THR A 3 7.911 -3.851 -2.599 1.00 75.23 H new ATOM 0 HA THR A 3 10.238 -4.989 -1.306 1.00 20.44 H new ATOM 0 HB THR A 3 9.903 -2.771 0.056 1.00 44.42 H new ATOM 0 HG1 THR A 3 7.683 -2.554 -0.927 1.00 62.22 H new ATOM 0 HG21 THR A 3 11.024 -1.479 -1.712 1.00 1.30 H new ATOM 0 HG22 THR A 3 11.690 -3.123 -1.575 1.00 1.30 H new ATOM 0 HG23 THR A 3 10.575 -2.724 -2.902 1.00 1.30 H new ATOM 38 N SER A 4 9.173 -6.016 0.665 1.00 71.02 N ATOM 39 CA SER A 4 8.651 -6.585 1.893 1.00 42.34 C ATOM 40 C SER A 4 9.783 -6.848 2.881 1.00 25.41 C ATOM 41 O SER A 4 10.547 -7.804 2.724 1.00 72.11 O ATOM 42 CB SER A 4 7.893 -7.881 1.586 1.00 74.12 C ATOM 43 OG SER A 4 8.692 -8.768 0.817 1.00 34.13 O ATOM 0 H SER A 4 9.991 -6.499 0.294 1.00 71.02 H new ATOM 0 HA SER A 4 7.961 -5.874 2.347 1.00 42.34 H new ATOM 0 HB2 SER A 4 7.600 -8.365 2.518 1.00 74.12 H new ATOM 0 HB3 SER A 4 6.975 -7.650 1.045 1.00 74.12 H new ATOM 0 HG SER A 4 9.607 -8.772 1.169 1.00 34.13 H new ATOM 49 N GLU A 5 9.916 -5.978 3.872 1.00 73.11 N ATOM 50 CA GLU A 5 10.957 -6.131 4.880 1.00 2.22 C ATOM 51 C GLU A 5 10.652 -7.317 5.779 1.00 63.11 C ATOM 52 O GLU A 5 9.634 -7.337 6.477 1.00 33.12 O ATOM 53 CB GLU A 5 11.107 -4.869 5.733 1.00 74.03 C ATOM 54 CG GLU A 5 11.531 -3.633 4.956 1.00 3.23 C ATOM 55 CD GLU A 5 10.375 -2.961 4.251 1.00 61.35 C ATOM 56 OE1 GLU A 5 9.663 -2.174 4.902 1.00 21.51 O ATOM 57 OE2 GLU A 5 10.169 -3.217 3.049 1.00 22.25 O1- ATOM 0 H GLU A 5 9.319 -5.161 4.000 1.00 73.11 H new ATOM 0 HA GLU A 5 11.896 -6.302 4.354 1.00 2.22 H new ATOM 0 HB2 GLU A 5 10.157 -4.664 6.228 1.00 74.03 H new ATOM 0 HB3 GLU A 5 11.840 -5.060 6.517 1.00 74.03 H new ATOM 0 HG2 GLU A 5 11.997 -2.922 5.638 1.00 3.23 H new ATOM 0 HG3 GLU A 5 12.286 -3.912 4.221 1.00 3.23 H new ATOM 64 N GLY A 6 11.525 -8.305 5.737 1.00 13.15 N ATOM 65 CA GLY A 6 11.374 -9.470 6.570 1.00 42.42 C ATOM 66 C GLY A 6 12.680 -10.213 6.719 1.00 52.24 C ATOM 67 O GLY A 6 13.596 -10.037 5.912 1.00 3.43 O ATOM 0 H GLY A 6 12.346 -8.319 5.132 1.00 13.15 H new ATOM 0 HA2 GLY A 6 11.009 -9.172 7.553 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.624 -10.133 6.139 1.00 42.42 H new ATOM 71 N CYS A 7 12.769 -11.033 7.749 1.00 10.20 N ATOM 72 CA CYS A 7 13.971 -11.806 8.006 1.00 70.11 C ATOM 73 C CYS A 7 13.864 -13.178 7.351 1.00 4.44 C ATOM 74 O CYS A 7 12.775 -13.735 7.248 1.00 72.14 O ATOM 75 CB CYS A 7 14.178 -11.955 9.513 1.00 4.33 C ATOM 76 SG CYS A 7 14.137 -10.379 10.432 1.00 21.12 S ATOM 0 H CYS A 7 12.020 -11.182 8.425 1.00 10.20 H new ATOM 0 HA CYS A 7 14.827 -11.283 7.580 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.407 -12.615 9.911 1.00 4.33 H new ATOM 0 HB3 CYS A 7 15.137 -12.442 9.691 1.00 4.33 H new ATOM 81 N GLN A 8 14.984 -13.718 6.904 1.00 15.12 N ATOM 82 CA GLN A 8 14.987 -15.023 6.253 1.00 64.14 C ATOM 83 C GLN A 8 15.078 -16.143 7.284 1.00 64.22 C ATOM 84 O GLN A 8 15.108 -15.895 8.494 1.00 1.10 O ATOM 85 CB GLN A 8 16.156 -15.147 5.278 1.00 50.41 C ATOM 86 CG GLN A 8 17.517 -15.063 5.951 1.00 43.35 C ATOM 87 CD GLN A 8 18.660 -15.541 5.072 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.401 -16.525 4.221 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.782 -15.047 5.179 1.00 23.50 N flip ATOM 0 H GLN A 8 15.901 -13.278 6.978 1.00 15.12 H new ATOM 0 HA GLN A 8 14.051 -15.113 5.702 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.079 -16.097 4.749 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.080 -14.358 4.529 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.704 -14.031 6.246 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.499 -15.658 6.864 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.945 -14.291 5.844 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.549 -15.393 4.602 1.00 23.50 H new ATOM 98 N ILE A 9 15.137 -17.376 6.799 1.00 54.54 N ATOM 99 CA ILE A 9 15.312 -18.522 7.670 1.00 64.42 C ATOM 100 C ILE A 9 16.796 -18.762 7.915 1.00 73.43 C ATOM 101 O ILE A 9 17.589 -18.874 6.976 1.00 71.43 O ATOM 102 CB ILE A 9 14.673 -19.798 7.073 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.145 -19.686 7.080 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.121 -21.041 7.831 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.443 -20.904 6.515 1.00 23.41 C ATOM 0 H ILE A 9 15.066 -17.604 5.807 1.00 54.54 H new ATOM 0 HA ILE A 9 14.809 -18.303 8.612 1.00 64.42 H new ATOM 0 HB ILE A 9 15.010 -19.893 6.041 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.806 -19.524 8.103 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.851 -18.808 6.504 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.657 -21.923 7.390 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.205 -21.133 7.770 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.822 -20.958 8.876 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.364 -20.752 6.553 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.752 -21.055 5.481 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.707 -21.782 7.105 1.00 23.41 H new ATOM 117 N ILE A 10 17.165 -18.809 9.185 1.00 1.44 N ATOM 118 CA ILE A 10 18.548 -19.014 9.579 1.00 53.14 C ATOM 119 C ILE A 10 18.903 -20.493 9.494 1.00 15.30 C ATOM 120 O ILE A 10 18.105 -21.347 9.884 1.00 44.43 O ATOM 121 CB ILE A 10 18.795 -18.520 11.023 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.323 -17.071 11.179 1.00 13.24 C ATOM 123 CG2 ILE A 10 20.270 -18.642 11.384 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.390 -16.560 12.604 1.00 42.33 C ATOM 0 H ILE A 10 16.518 -18.707 9.967 1.00 1.44 H new ATOM 0 HA ILE A 10 19.176 -18.441 8.897 1.00 53.14 H new ATOM 0 HB ILE A 10 18.221 -19.147 11.706 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.932 -16.429 10.543 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.296 -16.992 10.822 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.425 -18.290 12.404 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.578 -19.685 11.309 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.864 -18.039 10.697 1.00 25.05 H new ATOM 0 HD11 ILE A 10 18.041 -15.528 12.637 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.758 -17.178 13.242 1.00 42.33 H new ATOM 0 HD13 ILE A 10 19.420 -16.606 12.959 1.00 42.33 H new ATOM 136 N HIS A 11 20.080 -20.791 8.953 1.00 11.24 N ATOM 137 CA HIS A 11 20.597 -22.154 8.948 1.00 24.14 C ATOM 138 C HIS A 11 20.617 -22.703 10.364 1.00 73.03 C ATOM 139 O HIS A 11 21.127 -22.051 11.274 1.00 11.43 O ATOM 140 CB HIS A 11 22.014 -22.213 8.368 1.00 24.23 C ATOM 141 CG HIS A 11 22.080 -22.133 6.875 1.00 51.10 C ATOM 142 ND1 HIS A 11 23.245 -21.858 6.192 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.128 -22.321 5.931 1.00 73.31 C ATOM 144 CE1 HIS A 11 23.007 -21.874 4.895 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.732 -22.156 4.712 1.00 32.35 N ATOM 0 H HIS A 11 20.694 -20.106 8.512 1.00 11.24 H new ATOM 0 HA HIS A 11 19.940 -22.756 8.321 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.599 -21.395 8.789 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.486 -23.141 8.690 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.089 -22.557 6.106 1.00 73.31 H new ATOM 0 HE1 HIS A 11 23.732 -21.688 4.116 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.269 -22.238 3.807 1.00 32.35 H new ATOM 154 N PRO A 12 20.037 -23.894 10.569 1.00 62.10 N ATOM 155 CA PRO A 12 20.033 -24.551 11.874 1.00 31.33 C ATOM 156 C PRO A 12 21.434 -24.627 12.464 1.00 62.52 C ATOM 157 O PRO A 12 22.349 -25.160 11.832 1.00 11.24 O ATOM 158 CB PRO A 12 19.502 -25.950 11.567 1.00 52.40 C ATOM 159 CG PRO A 12 18.668 -25.775 10.346 1.00 51.45 C ATOM 160 CD PRO A 12 19.329 -24.685 9.549 1.00 4.22 C ATOM 0 HA PRO A 12 19.434 -24.014 12.609 1.00 31.33 H new ATOM 0 HB2 PRO A 12 20.316 -26.654 11.394 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.913 -26.342 12.397 1.00 52.40 H new ATOM 0 HG2 PRO A 12 18.615 -26.701 9.773 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.645 -25.503 10.607 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.017 -25.091 8.807 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.598 -24.082 9.010 1.00 4.22 H new ATOM 168 N PRO A 13 21.619 -24.062 13.667 1.00 72.42 N ATOM 169 CA PRO A 13 22.911 -24.060 14.360 1.00 11.03 C ATOM 170 C PRO A 13 23.304 -25.459 14.828 1.00 21.12 C ATOM 171 O PRO A 13 22.807 -26.465 14.306 1.00 10.42 O ATOM 172 CB PRO A 13 22.676 -23.141 15.572 1.00 63.12 C ATOM 173 CG PRO A 13 21.386 -22.440 15.300 1.00 12.24 C ATOM 174 CD PRO A 13 20.584 -23.375 14.445 1.00 11.22 C ATOM 0 HA PRO A 13 23.721 -23.726 13.712 1.00 11.03 H new ATOM 0 HB2 PRO A 13 22.622 -23.717 16.496 1.00 63.12 H new ATOM 0 HB3 PRO A 13 23.493 -22.428 15.688 1.00 63.12 H new ATOM 0 HG2 PRO A 13 20.862 -22.212 16.228 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.556 -21.492 14.789 1.00 12.24 H new ATOM 0 HD2 PRO A 13 19.998 -24.072 15.045 1.00 11.22 H new ATOM 0 HD3 PRO A 13 19.884 -22.839 13.804 1.00 11.22 H new ATOM 182 N TRP A 14 24.196 -25.529 15.807 1.00 13.53 N ATOM 183 CA TRP A 14 24.588 -26.810 16.370 1.00 55.11 C ATOM 184 C TRP A 14 23.362 -27.508 16.955 1.00 13.40 C ATOM 185 O TRP A 14 22.363 -26.850 17.244 1.00 31.14 O ATOM 186 CB TRP A 14 25.674 -26.628 17.429 1.00 53.25 C ATOM 187 CG TRP A 14 26.640 -27.772 17.458 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.881 -28.625 18.495 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.486 -28.197 16.383 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.833 -29.546 18.133 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.218 -29.305 16.843 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.697 -27.746 15.075 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.144 -29.969 16.044 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.617 -28.405 14.283 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.328 -29.506 14.769 1.00 71.42 C ATOM 0 H TRP A 14 24.657 -24.720 16.224 1.00 13.53 H new ATOM 0 HA TRP A 14 25.003 -27.434 15.579 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.216 -25.703 17.234 1.00 53.25 H new ATOM 0 HB3 TRP A 14 25.208 -26.524 18.409 1.00 53.25 H new ATOM 0 HD1 TRP A 14 26.395 -28.582 19.458 1.00 34.14 H new ATOM 0 HE1 TRP A 14 28.195 -30.290 18.730 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.150 -26.897 14.692 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.697 -30.819 16.416 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.790 -28.064 13.273 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.038 -30.002 14.124 1.00 71.42 H new ATOM 206 N GLU A 15 23.457 -28.829 17.127 1.00 44.34 N ATOM 207 CA GLU A 15 22.311 -29.683 17.460 1.00 22.34 C ATOM 208 C GLU A 15 21.345 -29.051 18.458 1.00 24.33 C ATOM 209 O GLU A 15 21.584 -29.022 19.668 1.00 3.10 O ATOM 210 CB GLU A 15 22.793 -31.041 17.968 1.00 35.12 C ATOM 211 CG GLU A 15 23.382 -31.904 16.865 1.00 53.31 C ATOM 212 CD GLU A 15 22.389 -32.150 15.744 1.00 41.30 C ATOM 213 OE1 GLU A 15 21.682 -33.177 15.787 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.297 -31.313 14.820 1.00 74.13 O1- ATOM 0 H GLU A 15 24.335 -29.340 17.039 1.00 44.34 H new ATOM 0 HA GLU A 15 21.747 -29.814 16.536 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.543 -30.889 18.744 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.959 -31.569 18.430 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.271 -31.420 16.462 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.701 -32.859 17.283 1.00 53.31 H new ATOM 221 N GLY A 16 20.253 -28.536 17.909 1.00 71.54 N ATOM 222 CA GLY A 16 19.217 -27.909 18.695 1.00 11.25 C ATOM 223 C GLY A 16 17.978 -27.689 17.854 1.00 0.41 C ATOM 224 O GLY A 16 17.625 -28.543 17.037 1.00 33.22 O ATOM 0 H GLY A 16 20.067 -28.545 16.906 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.975 -28.534 19.554 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.574 -26.956 19.085 1.00 11.25 H new ATOM 228 N GLY A 17 17.327 -26.552 18.031 1.00 23.54 N ATOM 229 CA GLY A 17 16.180 -26.226 17.210 1.00 23.21 C ATOM 230 C GLY A 17 15.728 -24.799 17.407 1.00 4.21 C ATOM 231 O GLY A 17 16.402 -24.014 18.073 1.00 73.45 O ATOM 0 H GLY A 17 17.571 -25.848 18.728 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.429 -26.386 16.161 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.359 -26.902 17.449 1.00 23.21 H new ATOM 235 N ILE A 18 14.579 -24.465 16.840 1.00 13.11 N ATOM 236 CA ILE A 18 14.030 -23.122 16.955 1.00 4.12 C ATOM 237 C ILE A 18 12.538 -23.166 17.240 1.00 21.53 C ATOM 238 O ILE A 18 11.795 -23.947 16.643 1.00 64.33 O ATOM 239 CB ILE A 18 14.320 -22.269 15.696 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.776 -21.817 15.728 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.391 -21.062 15.614 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.173 -20.922 14.570 1.00 70.34 C ATOM 0 H ILE A 18 14.006 -25.108 16.293 1.00 13.11 H new ATOM 0 HA ILE A 18 14.529 -22.643 17.797 1.00 4.12 H new ATOM 0 HB ILE A 18 14.140 -22.878 14.810 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.960 -21.287 16.662 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.418 -22.698 15.729 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.622 -20.485 14.718 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.356 -21.402 15.570 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.530 -20.435 16.495 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.223 -20.645 14.667 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.024 -21.455 13.631 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.558 -20.022 14.578 1.00 70.34 H new ATOM 254 N ARG A 19 12.117 -22.328 18.168 1.00 44.43 N ATOM 255 CA ARG A 19 10.744 -22.290 18.612 1.00 12.34 C ATOM 256 C ARG A 19 10.059 -21.034 18.093 1.00 54.31 C ATOM 257 O ARG A 19 10.484 -19.918 18.389 1.00 14.40 O ATOM 258 CB ARG A 19 10.722 -22.322 20.137 1.00 21.13 C ATOM 259 CG ARG A 19 9.359 -22.632 20.737 1.00 74.22 C ATOM 260 CD ARG A 19 8.788 -23.924 20.174 1.00 2.13 C ATOM 261 NE ARG A 19 7.575 -24.343 20.873 1.00 34.34 N ATOM 262 CZ ARG A 19 6.347 -24.271 20.359 1.00 15.24 C ATOM 263 NH1 ARG A 19 6.147 -23.712 19.170 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 5.320 -24.742 21.051 1.00 45.00 N ATOM 0 H ARG A 19 12.723 -21.653 18.635 1.00 44.43 H new ATOM 0 HA ARG A 19 10.204 -23.153 18.223 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.437 -23.068 20.483 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.061 -21.357 20.514 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.446 -22.712 21.821 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.674 -21.809 20.532 1.00 74.22 H new ATOM 0 HD2 ARG A 19 8.567 -23.790 19.115 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.537 -24.712 20.246 1.00 2.13 H new ATOM 0 HE ARG A 19 7.675 -24.715 21.817 1.00 34.34 H new ATOM 0 HH11 ARG A 19 6.936 -23.335 18.645 1.00 45.21 H new ATOM 0 HH12 ARG A 19 5.205 -23.660 18.783 1.00 45.21 H new ATOM 0 HH21 ARG A 19 5.472 -25.156 21.971 1.00 45.00 H new ATOM 0 HH22 ARG A 19 4.378 -24.690 20.664 1.00 45.00 H new ATOM 278 N TYR A 20 9.013 -21.222 17.302 1.00 74.35 N ATOM 279 CA TYR A 20 8.282 -20.100 16.734 1.00 40.55 C ATOM 280 C TYR A 20 7.057 -19.765 17.580 1.00 34.25 C ATOM 281 O TYR A 20 6.875 -20.314 18.666 1.00 72.21 O ATOM 282 CB TYR A 20 7.861 -20.419 15.297 1.00 12.44 C ATOM 283 CG TYR A 20 9.026 -20.636 14.355 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.484 -21.915 14.071 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.665 -19.562 13.752 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.551 -22.119 13.218 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.732 -19.756 12.896 1.00 52.11 C ATOM 288 CZ TYR A 20 11.169 -21.035 12.631 1.00 34.52 C ATOM 289 OH TYR A 20 12.233 -21.232 11.781 1.00 22.43 O ATOM 0 H TYR A 20 8.652 -22.139 17.040 1.00 74.35 H new ATOM 0 HA TYR A 20 8.940 -19.231 16.727 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.237 -21.313 15.301 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.246 -19.602 14.918 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.998 -22.766 14.525 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.323 -18.558 13.955 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.899 -23.121 13.012 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.221 -18.909 12.437 1.00 52.11 H new ATOM 0 HH TYR A 20 12.553 -20.366 11.452 1.00 22.43 H new ATOM 299 N ARG A 21 6.218 -18.877 17.062 1.00 4.04 N ATOM 300 CA ARG A 21 5.023 -18.433 17.770 1.00 43.13 C ATOM 301 C ARG A 21 3.817 -19.291 17.419 1.00 4.10 C ATOM 302 O ARG A 21 3.363 -20.098 18.227 1.00 52.41 O ATOM 303 CB ARG A 21 4.730 -16.967 17.443 1.00 74.30 C ATOM 304 CG ARG A 21 5.451 -15.976 18.341 1.00 52.33 C ATOM 305 CD ARG A 21 4.587 -15.562 19.528 1.00 1.31 C ATOM 306 NE ARG A 21 4.218 -16.691 20.381 1.00 72.30 N ATOM 307 CZ ARG A 21 2.966 -17.100 20.580 1.00 63.53 C ATOM 308 NH1 ARG A 21 1.960 -16.531 19.917 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 2.717 -18.088 21.429 1.00 24.04 N ATOM 0 H ARG A 21 6.345 -18.447 16.146 1.00 4.04 H new ATOM 0 HA ARG A 21 5.212 -18.536 18.838 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.010 -16.774 16.408 1.00 74.30 H new ATOM 0 HB3 ARG A 21 3.656 -16.796 17.520 1.00 74.30 H new ATOM 0 HG2 ARG A 21 6.379 -16.420 18.703 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.724 -15.093 17.764 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.125 -14.824 20.123 1.00 1.31 H new ATOM 0 HD3 ARG A 21 3.682 -15.078 19.161 1.00 1.31 H new ATOM 0 HE ARG A 21 4.967 -17.197 20.854 1.00 72.30 H new ATOM 0 HH11 ARG A 21 2.147 -15.779 19.254 1.00 42.32 H new ATOM 0 HH12 ARG A 21 1.003 -16.848 20.073 1.00 42.32 H new ATOM 0 HH21 ARG A 21 3.485 -18.535 21.930 1.00 24.04 H new ATOM 0 HH22 ARG A 21 1.758 -18.400 21.581 1.00 24.04 H new ATOM 323 N GLY A 22 3.308 -19.126 16.206 1.00 11.55 N ATOM 324 CA GLY A 22 2.118 -19.845 15.805 1.00 50.05 C ATOM 325 C GLY A 22 2.307 -20.574 14.496 1.00 71.12 C ATOM 326 O GLY A 22 1.651 -20.264 13.504 1.00 54.54 O ATOM 0 H GLY A 22 3.698 -18.508 15.494 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.849 -20.560 16.582 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.287 -19.146 15.713 1.00 50.05 H new ATOM 330 N LEU A 23 3.212 -21.537 14.490 1.00 51.01 N ATOM 331 CA LEU A 23 3.482 -22.315 13.292 1.00 52.44 C ATOM 332 C LEU A 23 3.332 -23.802 13.568 1.00 5.12 C ATOM 333 O LEU A 23 3.996 -24.352 14.447 1.00 0.51 O ATOM 334 CB LEU A 23 4.884 -22.013 12.753 1.00 44.13 C ATOM 335 CG LEU A 23 5.069 -20.611 12.168 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.498 -20.416 11.687 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.087 -20.378 11.028 1.00 3.33 C ATOM 0 H LEU A 23 3.773 -21.799 15.301 1.00 51.01 H new ATOM 0 HA LEU A 23 2.752 -22.030 12.535 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.604 -22.150 13.560 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.125 -22.745 11.983 1.00 44.13 H new ATOM 0 HG LEU A 23 4.869 -19.881 12.953 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.609 -19.413 11.275 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.184 -20.542 12.524 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.726 -21.153 10.917 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.231 -19.377 10.623 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.259 -21.115 10.244 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.067 -20.475 11.401 1.00 3.33 H new ATOM 349 N THR A 24 2.435 -24.436 12.826 1.00 45.31 N ATOM 350 CA THR A 24 2.235 -25.871 12.917 1.00 75.32 C ATOM 351 C THR A 24 3.272 -26.599 12.055 1.00 64.12 C ATOM 352 O THR A 24 4.119 -25.956 11.420 1.00 23.12 O ATOM 353 CB THR A 24 0.796 -26.256 12.488 1.00 73.21 C ATOM 354 OG1 THR A 24 0.564 -27.656 12.705 1.00 0.00 O ATOM 355 CG2 THR A 24 0.550 -25.915 11.021 1.00 12.52 C ATOM 0 H THR A 24 1.830 -23.972 12.149 1.00 45.31 H new ATOM 0 HA THR A 24 2.366 -26.176 13.955 1.00 75.32 H new ATOM 0 HB THR A 24 0.102 -25.679 13.099 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.963 -27.925 13.559 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.467 -26.196 10.748 1.00 12.52 H new ATOM 0 HG22 THR A 24 0.684 -24.844 10.869 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.257 -26.461 10.397 1.00 12.52 H new ATOM 363 N ARG A 25 3.209 -27.924 12.028 1.00 3.14 N ATOM 364 CA ARG A 25 4.202 -28.720 11.317 1.00 73.32 C ATOM 365 C ARG A 25 3.982 -28.685 9.809 1.00 50.00 C ATOM 366 O ARG A 25 3.091 -27.989 9.310 1.00 5.42 O ATOM 367 CB ARG A 25 4.164 -30.167 11.811 1.00 33.05 C ATOM 368 CG ARG A 25 4.927 -30.398 13.102 1.00 24.32 C ATOM 369 CD ARG A 25 6.421 -30.220 12.894 1.00 10.33 C ATOM 370 NE ARG A 25 7.194 -30.657 14.051 1.00 33.14 N ATOM 371 CZ ARG A 25 8.223 -31.498 13.980 1.00 2.41 C ATOM 372 NH1 ARG A 25 8.592 -32.008 12.810 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 8.876 -31.832 15.082 1.00 62.54 N ATOM 0 H ARG A 25 2.482 -28.470 12.490 1.00 3.14 H new ATOM 0 HA ARG A 25 5.181 -28.286 11.522 1.00 73.32 H new ATOM 0 HB2 ARG A 25 3.125 -30.463 11.957 1.00 33.05 H new ATOM 0 HB3 ARG A 25 4.575 -30.815 11.037 1.00 33.05 H new ATOM 0 HG2 ARG A 25 4.577 -29.702 13.864 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.726 -31.403 13.472 1.00 24.32 H new ATOM 0 HD2 ARG A 25 6.734 -30.785 12.016 1.00 10.33 H new ATOM 0 HD3 ARG A 25 6.635 -29.171 12.691 1.00 10.33 H new ATOM 0 HE ARG A 25 6.931 -30.297 14.968 1.00 33.14 H new ATOM 0 HH11 ARG A 25 8.086 -31.755 11.961 1.00 13.30 H new ATOM 0 HH12 ARG A 25 9.381 -32.652 12.761 1.00 13.30 H new ATOM 0 HH21 ARG A 25 8.590 -31.445 15.981 1.00 62.54 H new ATOM 0 HH22 ARG A 25 9.665 -32.476 15.032 1.00 62.54 H new ATOM 387 N ASP A 26 4.784 -29.482 9.101 1.00 11.55 N ATOM 388 CA ASP A 26 4.790 -29.514 7.637 1.00 13.41 C ATOM 389 C ASP A 26 5.031 -28.108 7.079 1.00 2.54 C ATOM 390 O ASP A 26 4.620 -27.773 5.967 1.00 54.04 O ATOM 391 CB ASP A 26 3.482 -30.103 7.101 1.00 51.21 C ATOM 392 CG ASP A 26 3.589 -30.524 5.649 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.501 -31.312 5.318 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.747 -30.090 4.834 1.00 15.44 O1- ATOM 0 H ASP A 26 5.450 -30.126 9.528 1.00 11.55 H new ATOM 0 HA ASP A 26 5.604 -30.159 7.305 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.200 -30.965 7.706 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.686 -29.366 7.205 1.00 51.21 H new ATOM 399 N GLN A 27 5.725 -27.295 7.861 1.00 2.23 N ATOM 400 CA GLN A 27 6.005 -25.917 7.497 1.00 4.51 C ATOM 401 C GLN A 27 7.470 -25.590 7.756 1.00 2.23 C ATOM 402 O GLN A 27 8.287 -26.497 7.911 1.00 21.25 O ATOM 403 CB GLN A 27 5.118 -24.954 8.291 1.00 41.02 C ATOM 404 CG GLN A 27 3.653 -24.977 7.881 1.00 12.33 C ATOM 405 CD GLN A 27 2.841 -23.893 8.561 1.00 33.35 C ATOM 406 OE1 GLN A 27 3.198 -23.565 9.794 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.885 -23.368 7.992 1.00 42.30 N flip ATOM 0 H GLN A 27 6.109 -27.573 8.764 1.00 2.23 H new ATOM 0 HA GLN A 27 5.790 -25.798 6.435 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.191 -25.199 9.350 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.502 -23.941 8.171 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.580 -24.857 6.800 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.227 -25.951 8.123 1.00 12.33 H new ATOM 0 HE21 GLN A 27 1.641 -23.647 7.042 1.00 42.30 H new ATOM 0 HE22 GLN A 27 1.336 -22.653 8.470 1.00 42.30 H new ATOM 416 N VAL A 28 7.773 -24.286 7.773 1.00 40.51 N ATOM 417 CA VAL A 28 9.121 -23.737 8.035 1.00 21.23 C ATOM 418 C VAL A 28 10.194 -24.335 7.117 1.00 20.45 C ATOM 419 O VAL A 28 11.390 -24.167 7.347 1.00 35.23 O ATOM 420 CB VAL A 28 9.555 -23.857 9.526 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.456 -23.355 10.449 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.973 -25.273 9.911 1.00 12.44 C ATOM 0 H VAL A 28 7.076 -23.562 7.602 1.00 40.51 H new ATOM 0 HA VAL A 28 9.036 -22.675 7.805 1.00 21.23 H new ATOM 0 HB VAL A 28 10.436 -23.226 9.645 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.781 -23.448 11.485 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.244 -22.309 10.228 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.554 -23.948 10.297 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.265 -25.293 10.961 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.137 -25.955 9.753 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.816 -25.584 9.294 1.00 12.44 H new ATOM 432 N LYS A 29 9.759 -24.991 6.051 1.00 1.44 N ATOM 433 CA LYS A 29 10.678 -25.569 5.084 1.00 53.22 C ATOM 434 C LYS A 29 11.013 -24.561 3.990 1.00 71.12 C ATOM 435 O LYS A 29 12.015 -24.703 3.290 1.00 33.02 O ATOM 436 CB LYS A 29 10.092 -26.852 4.480 1.00 54.41 C ATOM 437 CG LYS A 29 8.668 -26.706 3.967 1.00 70.52 C ATOM 438 CD LYS A 29 8.164 -28.006 3.359 1.00 33.02 C ATOM 439 CE LYS A 29 6.689 -27.931 2.993 1.00 11.13 C ATOM 440 NZ LYS A 29 6.409 -26.869 1.986 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.773 -25.136 5.834 1.00 1.44 H new ATOM 0 HA LYS A 29 11.601 -25.828 5.602 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.730 -27.178 3.659 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.116 -27.639 5.234 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.013 -26.407 4.785 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.628 -25.913 3.220 1.00 70.52 H new ATOM 0 HD2 LYS A 29 8.747 -28.239 2.468 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.321 -28.821 4.065 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.365 -28.895 2.601 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.103 -27.740 3.892 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.405 -26.901 1.718 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 6.629 -25.938 2.393 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 6.997 -27.026 1.143 1.00 21.55 H new ATOM 454 N ALA A 30 10.173 -23.539 3.851 1.00 52.32 N ATOM 455 CA ALA A 30 10.399 -22.488 2.867 1.00 14.13 C ATOM 456 C ALA A 30 9.627 -21.226 3.228 1.00 61.32 C ATOM 457 O ALA A 30 8.485 -21.037 2.804 1.00 75.11 O ATOM 458 CB ALA A 30 10.020 -22.964 1.472 1.00 4.23 C ATOM 0 H ALA A 30 9.328 -23.417 4.409 1.00 52.32 H new ATOM 0 HA ALA A 30 11.462 -22.249 2.872 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.197 -22.163 0.754 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.626 -23.830 1.206 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.966 -23.240 1.456 1.00 4.23 H new ATOM 464 N ILE A 31 10.244 -20.388 4.046 1.00 25.12 N ATOM 465 CA ILE A 31 9.674 -19.103 4.427 1.00 40.14 C ATOM 466 C ILE A 31 10.708 -18.014 4.181 1.00 74.23 C ATOM 467 O ILE A 31 11.698 -17.911 4.903 1.00 4.24 O ATOM 468 CB ILE A 31 9.232 -19.083 5.910 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.216 -20.200 6.182 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.638 -17.728 6.273 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.774 -20.285 7.629 1.00 3.32 C ATOM 0 H ILE A 31 11.154 -20.578 4.465 1.00 25.12 H new ATOM 0 HA ILE A 31 8.785 -18.929 3.821 1.00 40.14 H new ATOM 0 HB ILE A 31 10.111 -19.253 6.532 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.340 -20.043 5.553 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.652 -21.155 5.888 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.333 -17.733 7.319 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.385 -16.950 6.116 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.771 -17.530 5.643 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.056 -21.097 7.743 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.640 -20.474 8.263 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.307 -19.345 7.923 1.00 3.32 H new ATOM 483 N ASN A 32 10.488 -17.222 3.147 1.00 72.34 N ATOM 484 CA ASN A 32 11.481 -16.252 2.707 1.00 15.12 C ATOM 485 C ASN A 32 11.579 -15.071 3.659 1.00 73.04 C ATOM 486 O ASN A 32 12.677 -14.585 3.932 1.00 13.03 O ATOM 487 CB ASN A 32 11.167 -15.752 1.295 1.00 71.30 C ATOM 488 CG ASN A 32 11.348 -16.824 0.235 1.00 3.15 C ATOM 489 OD1 ASN A 32 11.123 -18.010 0.481 1.00 51.12 O ATOM 490 ND2 ASN A 32 11.770 -16.413 -0.949 1.00 22.03 N ATOM 0 H ASN A 32 9.631 -17.230 2.594 1.00 72.34 H new ATOM 0 HA ASN A 32 12.443 -16.764 2.700 1.00 15.12 H new ATOM 0 HB2 ASN A 32 10.140 -15.387 1.264 1.00 71.30 H new ATOM 0 HB3 ASN A 32 11.813 -14.906 1.063 1.00 71.30 H new ATOM 0 HD21 ASN A 32 11.921 -17.088 -1.699 1.00 22.03 H new ATOM 0 HD22 ASN A 32 11.945 -15.421 -1.112 1.00 22.03 H new ATOM 497 N PHE A 33 10.442 -14.604 4.161 1.00 4.32 N ATOM 498 CA PHE A 33 10.432 -13.427 5.016 1.00 60.13 C ATOM 499 C PHE A 33 9.540 -13.618 6.237 1.00 71.25 C ATOM 500 O PHE A 33 8.329 -13.816 6.116 1.00 43.02 O ATOM 501 CB PHE A 33 9.963 -12.196 4.233 1.00 25.12 C ATOM 502 CG PHE A 33 10.855 -11.825 3.082 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.446 -12.037 1.772 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.099 -11.262 3.308 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.265 -11.694 0.713 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.922 -10.919 2.254 1.00 62.54 C ATOM 507 CZ PHE A 33 12.506 -11.133 0.955 1.00 65.33 C ATOM 0 H PHE A 33 9.525 -15.018 3.992 1.00 4.32 H new ATOM 0 HA PHE A 33 11.455 -13.275 5.360 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.958 -12.381 3.855 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.896 -11.348 4.915 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.478 -12.475 1.579 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.430 -11.089 4.321 1.00 1.10 H new ATOM 0 HE1 PHE A 33 10.937 -11.864 -0.302 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.891 -10.483 2.446 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.148 -10.863 0.130 1.00 65.33 H new ATOM 517 N LEU A 34 10.155 -13.580 7.406 1.00 45.21 N ATOM 518 CA LEU A 34 9.424 -13.522 8.661 1.00 44.33 C ATOM 519 C LEU A 34 9.011 -12.079 8.925 1.00 61.32 C ATOM 520 O LEU A 34 9.812 -11.163 8.743 1.00 5.11 O ATOM 521 CB LEU A 34 10.277 -14.047 9.832 1.00 2.10 C ATOM 522 CG LEU A 34 10.405 -15.574 9.954 1.00 42.44 C ATOM 523 CD1 LEU A 34 9.033 -16.226 10.024 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.221 -16.156 8.806 1.00 73.11 C ATOM 0 H LEU A 34 11.169 -13.588 7.513 1.00 45.21 H new ATOM 0 HA LEU A 34 8.542 -14.158 8.583 1.00 44.33 H new ATOM 0 HB2 LEU A 34 11.278 -13.627 9.740 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.854 -13.664 10.761 1.00 2.10 H new ATOM 0 HG LEU A 34 10.936 -15.789 10.881 1.00 42.44 H new ATOM 0 HD11 LEU A 34 9.148 -17.307 10.110 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.494 -15.848 10.893 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.472 -15.992 9.119 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.293 -17.237 8.922 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.734 -15.924 7.859 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.221 -15.723 8.815 1.00 73.11 H new ATOM 536 N PRO A 35 7.763 -11.853 9.351 1.00 32.22 N ATOM 537 CA PRO A 35 7.237 -10.500 9.554 1.00 5.03 C ATOM 538 C PRO A 35 7.844 -9.802 10.768 1.00 10.23 C ATOM 539 O PRO A 35 8.285 -10.457 11.721 1.00 63.24 O ATOM 540 CB PRO A 35 5.740 -10.738 9.770 1.00 22.10 C ATOM 541 CG PRO A 35 5.655 -12.120 10.320 1.00 24.21 C ATOM 542 CD PRO A 35 6.768 -12.892 9.669 1.00 34.40 C ATOM 0 HA PRO A 35 7.470 -9.846 8.714 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.319 -10.009 10.462 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.185 -10.648 8.836 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.765 -12.116 11.404 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.687 -12.569 10.099 1.00 24.21 H new ATOM 0 HD2 PRO A 35 7.177 -13.649 10.338 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.427 -13.410 8.773 1.00 34.40 H new ATOM 550 N VAL A 36 7.870 -8.471 10.720 1.00 60.55 N ATOM 551 CA VAL A 36 8.316 -7.666 11.850 1.00 53.33 C ATOM 552 C VAL A 36 7.308 -7.787 12.998 1.00 1.10 C ATOM 553 O VAL A 36 6.375 -6.989 13.138 1.00 72.31 O ATOM 554 CB VAL A 36 8.542 -6.179 11.451 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.337 -5.606 10.716 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.873 -5.334 12.673 1.00 25.11 C ATOM 0 H VAL A 36 7.585 -7.928 9.905 1.00 60.55 H new ATOM 0 HA VAL A 36 9.281 -8.048 12.183 1.00 53.33 H new ATOM 0 HB VAL A 36 9.392 -6.150 10.769 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.532 -4.566 10.453 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.157 -6.182 9.808 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.459 -5.659 11.360 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.027 -4.299 12.369 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.049 -5.385 13.384 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.781 -5.713 13.142 1.00 25.11 H new ATOM 566 N ASP A 37 7.496 -8.827 13.797 1.00 75.53 N ATOM 567 CA ASP A 37 6.527 -9.217 14.811 1.00 0.24 C ATOM 568 C ASP A 37 6.975 -10.505 15.477 1.00 61.43 C ATOM 569 O ASP A 37 6.856 -10.674 16.687 1.00 74.15 O ATOM 570 CB ASP A 37 5.153 -9.444 14.165 1.00 1.03 C ATOM 571 CG ASP A 37 4.090 -9.857 15.158 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.917 -11.070 15.384 1.00 11.24 O ATOM 573 OD2 ASP A 37 3.405 -8.962 15.700 1.00 24.30 O1- ATOM 0 H ASP A 37 8.323 -9.423 13.761 1.00 75.53 H new ATOM 0 HA ASP A 37 6.455 -8.421 15.552 1.00 0.24 H new ATOM 0 HB2 ASP A 37 4.838 -8.528 13.665 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.242 -10.212 13.397 1.00 1.03 H new ATOM 578 N TYR A 38 7.509 -11.400 14.661 1.00 64.13 N ATOM 579 CA TYR A 38 7.832 -12.746 15.100 1.00 64.04 C ATOM 580 C TYR A 38 9.070 -12.786 15.988 1.00 13.41 C ATOM 581 O TYR A 38 10.130 -12.273 15.621 1.00 72.14 O ATOM 582 CB TYR A 38 8.033 -13.653 13.888 1.00 31.23 C ATOM 583 CG TYR A 38 7.092 -14.832 13.867 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.511 -16.086 14.284 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.778 -14.684 13.441 1.00 42.20 C ATOM 586 CE1 TYR A 38 6.647 -17.160 14.280 1.00 51.34 C ATOM 587 CE2 TYR A 38 4.909 -15.755 13.433 1.00 74.11 C ATOM 588 CZ TYR A 38 5.348 -16.988 13.853 1.00 52.12 C ATOM 589 OH TYR A 38 4.483 -18.053 13.856 1.00 52.04 O ATOM 0 H TYR A 38 7.729 -11.215 13.682 1.00 64.13 H new ATOM 0 HA TYR A 38 6.993 -13.103 15.697 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.894 -13.069 12.978 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.061 -14.016 13.880 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.529 -16.223 14.617 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.432 -13.716 13.111 1.00 42.20 H new ATOM 0 HE1 TYR A 38 6.986 -18.131 14.610 1.00 51.34 H new ATOM 0 HE2 TYR A 38 3.890 -15.626 13.099 1.00 74.11 H new ATOM 0 HH TYR A 38 3.606 -17.763 13.527 1.00 52.04 H new ATOM 599 N GLU A 39 8.913 -13.394 17.158 1.00 24.42 N ATOM 600 CA GLU A 39 10.028 -13.653 18.055 1.00 12.31 C ATOM 601 C GLU A 39 10.342 -15.145 18.050 1.00 14.54 C ATOM 602 O GLU A 39 9.445 -15.972 18.239 1.00 3.41 O ATOM 603 CB GLU A 39 9.700 -13.204 19.482 1.00 45.13 C ATOM 604 CG GLU A 39 9.342 -11.732 19.602 1.00 72.52 C ATOM 605 CD GLU A 39 9.175 -11.292 21.041 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.069 -11.459 21.598 1.00 5.53 O ATOM 607 OE2 GLU A 39 10.152 -10.771 21.626 1.00 51.15 O1- ATOM 0 H GLU A 39 8.012 -13.719 17.509 1.00 24.42 H new ATOM 0 HA GLU A 39 10.892 -13.087 17.707 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.869 -13.801 19.857 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.557 -13.412 20.123 1.00 45.13 H new ATOM 0 HG2 GLU A 39 10.120 -11.132 19.130 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.418 -11.541 19.057 1.00 72.52 H new ATOM 614 N ILE A 40 11.596 -15.492 17.811 1.00 4.54 N ATOM 615 CA ILE A 40 11.993 -16.891 17.771 1.00 42.33 C ATOM 616 C ILE A 40 12.861 -17.258 18.968 1.00 75.11 C ATOM 617 O ILE A 40 13.681 -16.458 19.428 1.00 0.45 O ATOM 618 CB ILE A 40 12.751 -17.240 16.471 1.00 22.13 C ATOM 619 CG1 ILE A 40 14.034 -16.408 16.348 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.852 -17.026 15.261 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.900 -16.794 15.167 1.00 11.34 C ATOM 0 H ILE A 40 12.353 -14.829 17.643 1.00 4.54 H new ATOM 0 HA ILE A 40 11.070 -17.471 17.804 1.00 42.33 H new ATOM 0 HB ILE A 40 13.034 -18.292 16.510 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.766 -15.355 16.262 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.615 -16.516 17.264 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.400 -17.276 14.352 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.973 -17.666 15.343 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.539 -15.983 15.221 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.788 -16.163 15.146 1.00 11.34 H new ATOM 0 HD12 ILE A 40 15.199 -17.838 15.261 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.337 -16.659 14.243 1.00 11.34 H new ATOM 633 N GLU A 41 12.664 -18.466 19.471 1.00 61.12 N ATOM 634 CA GLU A 41 13.468 -18.990 20.562 1.00 13.03 C ATOM 635 C GLU A 41 14.416 -20.067 20.039 1.00 60.15 C ATOM 636 O GLU A 41 14.094 -20.780 19.091 1.00 54.15 O ATOM 637 CB GLU A 41 12.566 -19.568 21.660 1.00 74.33 C ATOM 638 CG GLU A 41 13.330 -20.246 22.784 1.00 15.40 C ATOM 639 CD GLU A 41 12.427 -20.757 23.887 1.00 2.52 C ATOM 640 OE1 GLU A 41 12.565 -20.283 25.033 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.582 -21.636 23.617 1.00 65.45 O1- ATOM 0 H GLU A 41 11.946 -19.108 19.136 1.00 61.12 H new ATOM 0 HA GLU A 41 14.055 -18.176 20.988 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.958 -18.766 22.078 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.880 -20.288 21.213 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.903 -21.078 22.376 1.00 15.40 H new ATOM 0 HG3 GLU A 41 14.047 -19.541 23.206 1.00 15.40 H new ATOM 648 N TYR A 42 15.584 -20.171 20.652 1.00 75.13 N ATOM 649 CA TYR A 42 16.559 -21.186 20.278 1.00 70.02 C ATOM 650 C TYR A 42 16.561 -22.312 21.305 1.00 70.13 C ATOM 651 O TYR A 42 17.104 -22.160 22.397 1.00 31.24 O ATOM 652 CB TYR A 42 17.961 -20.580 20.166 1.00 71.13 C ATOM 653 CG TYR A 42 18.084 -19.500 19.114 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.411 -19.816 17.801 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.877 -18.164 19.435 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.529 -18.831 16.838 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.990 -17.174 18.479 1.00 60.14 C ATOM 658 CZ TYR A 42 18.316 -17.512 17.181 1.00 71.20 C ATOM 659 OH TYR A 42 18.426 -16.526 16.225 1.00 33.12 O ATOM 0 H TYR A 42 15.882 -19.562 21.414 1.00 75.13 H new ATOM 0 HA TYR A 42 16.278 -21.588 19.304 1.00 70.02 H new ATOM 0 HB2 TYR A 42 18.244 -20.164 21.133 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.672 -21.375 19.940 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.576 -20.848 17.528 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.623 -17.895 20.450 1.00 74.53 H new ATOM 0 HE1 TYR A 42 18.787 -19.093 15.822 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.824 -16.141 18.745 1.00 60.14 H new ATOM 0 HH TYR A 42 17.823 -15.786 16.447 1.00 33.12 H new ATOM 669 N VAL A 43 15.923 -23.424 20.973 1.00 14.33 N ATOM 670 CA VAL A 43 15.842 -24.556 21.892 1.00 13.01 C ATOM 671 C VAL A 43 16.944 -25.573 21.606 1.00 43.53 C ATOM 672 O VAL A 43 17.651 -25.470 20.600 1.00 23.35 O ATOM 673 CB VAL A 43 14.466 -25.255 21.827 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.360 -24.302 22.254 1.00 12.10 C ATOM 675 CG2 VAL A 43 14.192 -25.800 20.433 1.00 10.23 C ATOM 0 H VAL A 43 15.455 -23.570 20.079 1.00 14.33 H new ATOM 0 HA VAL A 43 15.975 -24.154 22.897 1.00 13.01 H new ATOM 0 HB VAL A 43 14.485 -26.096 22.520 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.399 -24.813 22.201 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.540 -23.971 23.277 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.348 -23.438 21.590 1.00 12.10 H new ATOM 0 HG21 VAL A 43 13.217 -26.286 20.418 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.200 -24.981 19.714 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.963 -26.524 20.167 1.00 10.23 H new ATOM 685 N CYS A 44 17.094 -26.545 22.496 1.00 44.41 N ATOM 686 CA CYS A 44 18.112 -27.574 22.334 1.00 33.42 C ATOM 687 C CYS A 44 17.511 -28.783 21.619 1.00 23.24 C ATOM 688 O CYS A 44 16.330 -28.777 21.269 1.00 51.42 O ATOM 689 CB CYS A 44 18.690 -27.963 23.698 1.00 2.24 C ATOM 690 SG CYS A 44 20.176 -29.020 23.630 1.00 3.51 S ATOM 0 H CYS A 44 16.524 -26.642 23.337 1.00 44.41 H new ATOM 0 HA CYS A 44 18.929 -27.187 21.724 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.934 -27.053 24.246 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.919 -28.481 24.268 1.00 2.24 H new ATOM 695 N ARG A 45 18.319 -29.810 21.392 1.00 62.05 N ATOM 696 CA ARG A 45 17.879 -30.978 20.639 1.00 5.01 C ATOM 697 C ARG A 45 17.027 -31.901 21.511 1.00 54.03 C ATOM 698 O ARG A 45 17.552 -32.750 22.233 1.00 24.32 O ATOM 699 CB ARG A 45 19.096 -31.729 20.083 1.00 71.44 C ATOM 700 CG ARG A 45 18.827 -32.539 18.817 1.00 42.32 C ATOM 701 CD ARG A 45 17.899 -33.718 19.070 1.00 12.32 C ATOM 702 NE ARG A 45 17.726 -34.548 17.882 1.00 32.41 N ATOM 703 CZ ARG A 45 16.758 -35.454 17.734 1.00 70.05 C ATOM 704 NH1 ARG A 45 15.891 -35.677 18.718 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.671 -36.150 16.610 1.00 35.41 N ATOM 0 H ARG A 45 19.284 -29.858 21.719 1.00 62.05 H new ATOM 0 HA ARG A 45 17.261 -30.643 19.806 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.886 -31.007 19.874 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.473 -32.401 20.854 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.387 -31.890 18.060 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.772 -32.904 18.414 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.300 -34.326 19.881 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.927 -33.349 19.398 1.00 12.32 H new ATOM 0 HE ARG A 45 18.388 -34.428 17.115 1.00 32.41 H new ATOM 0 HH11 ARG A 45 15.964 -35.154 19.591 1.00 54.35 H new ATOM 0 HH12 ARG A 45 15.153 -36.371 18.600 1.00 54.35 H new ATOM 0 HH21 ARG A 45 17.344 -35.993 15.859 1.00 35.41 H new ATOM 0 HH22 ARG A 45 15.932 -36.843 16.495 1.00 35.41 H new ATOM 719 N GLY A 46 15.717 -31.716 21.457 1.00 62.21 N ATOM 720 CA GLY A 46 14.815 -32.603 22.160 1.00 35.13 C ATOM 721 C GLY A 46 14.120 -31.921 23.318 1.00 50.42 C ATOM 722 O GLY A 46 13.668 -30.786 23.194 1.00 24.32 O ATOM 0 H GLY A 46 15.262 -30.966 20.938 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.067 -32.982 21.464 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.372 -33.464 22.530 1.00 35.13 H new ATOM 726 N GLU A 47 14.046 -32.609 24.451 1.00 62.41 N ATOM 727 CA GLU A 47 13.404 -32.055 25.640 1.00 21.42 C ATOM 728 C GLU A 47 14.430 -31.304 26.475 1.00 12.53 C ATOM 729 O GLU A 47 14.196 -30.987 27.643 1.00 4.41 O ATOM 730 CB GLU A 47 12.763 -33.148 26.505 1.00 22.13 C ATOM 731 CG GLU A 47 11.963 -34.188 25.734 1.00 11.01 C ATOM 732 CD GLU A 47 12.850 -35.155 24.990 1.00 54.23 C ATOM 733 OE1 GLU A 47 13.855 -35.614 25.574 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.558 -35.448 23.818 1.00 71.43 O1- ATOM 0 H GLU A 47 14.421 -33.550 24.573 1.00 62.41 H new ATOM 0 HA GLU A 47 12.618 -31.380 25.303 1.00 21.42 H new ATOM 0 HB2 GLU A 47 13.549 -33.656 27.064 1.00 22.13 H new ATOM 0 HB3 GLU A 47 12.107 -32.675 27.236 1.00 22.13 H new ATOM 0 HG2 GLU A 47 11.327 -34.740 26.426 1.00 11.01 H new ATOM 0 HG3 GLU A 47 11.304 -33.685 25.027 1.00 11.01 H new ATOM 741 N ARG A 48 15.568 -31.026 25.864 1.00 3.22 N ATOM 742 CA ARG A 48 16.646 -30.320 26.529 1.00 11.31 C ATOM 743 C ARG A 48 16.453 -28.822 26.343 1.00 51.34 C ATOM 744 O ARG A 48 16.105 -28.367 25.251 1.00 74.21 O ATOM 745 CB ARG A 48 18.003 -30.717 25.940 1.00 14.32 C ATOM 746 CG ARG A 48 18.297 -32.213 25.917 1.00 42.31 C ATOM 747 CD ARG A 48 18.488 -32.789 27.310 1.00 42.54 C ATOM 748 NE ARG A 48 19.419 -33.920 27.297 1.00 62.44 N ATOM 749 CZ ARG A 48 19.101 -35.170 27.633 1.00 10.24 C ATOM 750 NH1 ARG A 48 17.854 -35.493 27.951 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.029 -36.112 27.611 1.00 20.12 N ATOM 0 H ARG A 48 15.769 -31.282 24.897 1.00 3.22 H new ATOM 0 HA ARG A 48 16.629 -30.581 27.587 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.062 -30.337 24.920 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.787 -30.219 26.511 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.478 -32.734 25.421 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.195 -32.395 25.326 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.864 -32.014 27.978 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.526 -33.112 27.707 1.00 42.54 H new ATOM 0 HE ARG A 48 20.381 -33.738 27.010 1.00 62.44 H new ATOM 0 HH11 ARG A 48 17.124 -34.781 27.940 1.00 25.54 H new ATOM 0 HH12 ARG A 48 17.625 -36.454 28.206 1.00 25.54 H new ATOM 0 HH21 ARG A 48 20.984 -35.881 27.338 1.00 20.12 H new ATOM 0 HH22 ARG A 48 19.790 -37.070 27.867 1.00 20.12 H new ATOM 765 N GLU A 49 16.670 -28.062 27.398 1.00 44.11 N ATOM 766 CA GLU A 49 16.580 -26.617 27.315 1.00 30.02 C ATOM 767 C GLU A 49 17.965 -25.993 27.332 1.00 63.13 C ATOM 768 O GLU A 49 18.954 -26.648 27.671 1.00 72.31 O ATOM 769 CB GLU A 49 15.744 -26.048 28.460 1.00 5.24 C ATOM 770 CG GLU A 49 14.267 -26.384 28.366 1.00 21.11 C ATOM 771 CD GLU A 49 13.451 -25.670 29.419 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.107 -24.488 29.210 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.155 -26.281 30.465 1.00 41.04 O1- ATOM 0 H GLU A 49 16.910 -28.420 28.322 1.00 44.11 H new ATOM 0 HA GLU A 49 16.089 -26.372 26.373 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.134 -26.427 29.405 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.860 -24.964 28.479 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.897 -26.114 27.377 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.133 -27.460 28.473 1.00 21.11 H new ATOM 780 N VAL A 50 18.030 -24.730 26.958 1.00 34.14 N ATOM 781 CA VAL A 50 19.279 -23.996 26.969 1.00 54.31 C ATOM 782 C VAL A 50 19.141 -22.773 27.863 1.00 4.42 C ATOM 783 O VAL A 50 18.120 -22.080 27.825 1.00 41.03 O ATOM 784 CB VAL A 50 19.698 -23.546 25.549 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.905 -24.743 24.637 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.670 -22.600 24.952 1.00 31.42 C ATOM 0 H VAL A 50 17.226 -24.188 26.641 1.00 34.14 H new ATOM 0 HA VAL A 50 20.052 -24.663 27.352 1.00 54.31 H new ATOM 0 HB VAL A 50 20.645 -23.013 25.637 1.00 15.41 H new ATOM 0 HG11 VAL A 50 20.199 -24.398 23.645 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.688 -25.381 25.046 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.977 -25.310 24.564 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.989 -22.299 23.954 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.706 -23.104 24.888 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.577 -21.717 25.585 1.00 31.42 H new ATOM 796 N VAL A 51 20.139 -22.512 28.687 1.00 23.20 N ATOM 797 CA VAL A 51 20.125 -21.297 29.475 1.00 2.24 C ATOM 798 C VAL A 51 20.878 -20.205 28.719 1.00 12.52 C ATOM 799 O VAL A 51 22.107 -20.129 28.725 1.00 73.23 O ATOM 800 CB VAL A 51 20.696 -21.513 30.901 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.102 -22.086 30.865 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.662 -20.215 31.695 1.00 4.13 C ATOM 0 H VAL A 51 20.953 -23.111 28.826 1.00 23.20 H new ATOM 0 HA VAL A 51 19.090 -20.985 29.618 1.00 2.24 H new ATOM 0 HB VAL A 51 20.060 -22.243 31.401 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.466 -22.222 31.884 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.090 -23.048 30.352 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.761 -21.400 30.333 1.00 24.00 H new ATOM 0 HG21 VAL A 51 21.067 -20.388 32.692 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.262 -19.461 31.186 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.633 -19.865 31.777 1.00 4.13 H new ATOM 812 N GLY A 52 20.112 -19.404 28.007 1.00 43.00 N ATOM 813 CA GLY A 52 20.670 -18.339 27.209 1.00 12.21 C ATOM 814 C GLY A 52 19.671 -17.232 26.995 1.00 21.54 C ATOM 815 O GLY A 52 18.496 -17.395 27.322 1.00 21.14 O ATOM 0 H GLY A 52 19.095 -19.474 27.967 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.557 -17.940 27.701 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.990 -18.734 26.245 1.00 12.21 H new ATOM 819 N PRO A 53 20.094 -16.105 26.418 1.00 41.45 N ATOM 820 CA PRO A 53 19.192 -15.008 26.080 1.00 13.20 C ATOM 821 C PRO A 53 18.499 -15.281 24.751 1.00 34.33 C ATOM 822 O PRO A 53 18.343 -14.386 23.916 1.00 53.40 O ATOM 823 CB PRO A 53 20.143 -13.821 25.963 1.00 30.31 C ATOM 824 CG PRO A 53 21.422 -14.412 25.474 1.00 70.42 C ATOM 825 CD PRO A 53 21.484 -15.818 26.013 1.00 22.42 C ATOM 0 HA PRO A 53 18.395 -14.853 26.807 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.760 -13.073 25.268 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.277 -13.324 26.924 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.456 -14.413 24.385 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.275 -13.828 25.819 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.833 -16.521 25.256 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.169 -15.892 26.857 1.00 22.42 H new ATOM 833 N LYS A 54 18.075 -16.528 24.573 1.00 53.33 N ATOM 834 CA LYS A 54 17.583 -16.999 23.291 1.00 53.43 C ATOM 835 C LYS A 54 16.184 -16.487 22.969 1.00 54.24 C ATOM 836 O LYS A 54 15.179 -17.138 23.239 1.00 72.35 O ATOM 837 CB LYS A 54 17.638 -18.537 23.220 1.00 14.34 C ATOM 838 CG LYS A 54 17.483 -19.260 24.559 1.00 2.25 C ATOM 839 CD LYS A 54 16.051 -19.248 25.080 1.00 62.01 C ATOM 840 CE LYS A 54 15.888 -20.183 26.268 1.00 22.54 C ATOM 841 NZ LYS A 54 14.496 -20.204 26.789 1.00 20.32 N1+ ATOM 0 H LYS A 54 18.064 -17.233 25.310 1.00 53.33 H new ATOM 0 HA LYS A 54 18.245 -16.587 22.529 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.853 -18.881 22.547 1.00 14.34 H new ATOM 0 HB3 LYS A 54 18.589 -18.830 22.776 1.00 14.34 H new ATOM 0 HG2 LYS A 54 17.815 -20.292 24.449 1.00 2.25 H new ATOM 0 HG3 LYS A 54 18.136 -18.792 25.296 1.00 2.25 H new ATOM 0 HD2 LYS A 54 15.776 -18.234 25.372 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.369 -19.546 24.283 1.00 62.01 H new ATOM 0 HE2 LYS A 54 16.178 -21.192 25.975 1.00 22.54 H new ATOM 0 HE3 LYS A 54 16.566 -19.875 27.064 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 14.426 -20.893 27.565 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 14.243 -19.259 27.142 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 13.844 -20.474 26.026 1.00 20.32 H new ATOM 855 N VAL A 55 16.146 -15.306 22.384 1.00 2.14 N ATOM 856 CA VAL A 55 14.936 -14.764 21.805 1.00 11.43 C ATOM 857 C VAL A 55 15.305 -13.643 20.843 1.00 43.22 C ATOM 858 O VAL A 55 16.026 -12.708 21.202 1.00 65.24 O ATOM 859 CB VAL A 55 13.945 -14.257 22.886 1.00 34.24 C ATOM 860 CG1 VAL A 55 14.594 -13.222 23.794 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.691 -13.689 22.240 1.00 74.12 C ATOM 0 H VAL A 55 16.958 -14.694 22.297 1.00 2.14 H new ATOM 0 HA VAL A 55 14.426 -15.562 21.266 1.00 11.43 H new ATOM 0 HB VAL A 55 13.663 -15.110 23.502 1.00 34.24 H new ATOM 0 HG11 VAL A 55 13.872 -12.888 24.539 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.454 -13.666 24.295 1.00 71.14 H new ATOM 0 HG13 VAL A 55 14.921 -12.370 23.199 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.009 -13.339 23.015 1.00 74.12 H new ATOM 0 HG22 VAL A 55 12.961 -12.856 21.591 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.202 -14.464 21.650 1.00 74.12 H new ATOM 871 N ARG A 56 14.823 -13.742 19.617 1.00 3.44 N ATOM 872 CA ARG A 56 15.137 -12.756 18.600 1.00 30.34 C ATOM 873 C ARG A 56 13.885 -12.369 17.849 1.00 34.22 C ATOM 874 O ARG A 56 13.144 -13.230 17.377 1.00 45.24 O ATOM 875 CB ARG A 56 16.193 -13.286 17.622 1.00 31.13 C ATOM 876 CG ARG A 56 17.532 -13.602 18.270 1.00 60.22 C ATOM 877 CD ARG A 56 18.092 -12.396 19.002 1.00 12.52 C ATOM 878 NE ARG A 56 19.339 -12.701 19.698 1.00 73.32 N ATOM 879 CZ ARG A 56 19.630 -12.288 20.933 1.00 41.54 C ATOM 880 NH1 ARG A 56 18.737 -11.616 21.645 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.810 -12.560 21.462 1.00 53.04 N ATOM 0 H ARG A 56 14.212 -14.496 19.302 1.00 3.44 H new ATOM 0 HA ARG A 56 15.545 -11.876 19.097 1.00 30.34 H new ATOM 0 HB2 ARG A 56 15.811 -14.188 17.144 1.00 31.13 H new ATOM 0 HB3 ARG A 56 16.347 -12.548 16.835 1.00 31.13 H new ATOM 0 HG2 ARG A 56 17.413 -14.430 18.968 1.00 60.22 H new ATOM 0 HG3 ARG A 56 18.239 -13.927 17.507 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.264 -11.589 18.290 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.356 -12.036 19.721 1.00 12.52 H new ATOM 0 HE ARG A 56 20.033 -13.266 19.208 1.00 73.32 H new ATOM 0 HH11 ARG A 56 17.819 -11.411 21.250 1.00 41.24 H new ATOM 0 HH12 ARG A 56 18.967 -11.304 22.588 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.500 -13.086 20.926 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.031 -12.244 22.406 1.00 53.04 H new ATOM 895 N LYS A 57 13.642 -11.080 17.757 1.00 33.31 N ATOM 896 CA LYS A 57 12.474 -10.578 17.064 1.00 4.11 C ATOM 897 C LYS A 57 12.883 -9.950 15.742 1.00 15.33 C ATOM 898 O LYS A 57 13.878 -9.228 15.670 1.00 3.22 O ATOM 899 CB LYS A 57 11.742 -9.558 17.936 1.00 43.11 C ATOM 900 CG LYS A 57 10.454 -9.032 17.322 1.00 71.30 C ATOM 901 CD LYS A 57 9.686 -8.164 18.305 1.00 14.43 C ATOM 902 CE LYS A 57 10.494 -6.951 18.735 1.00 11.33 C ATOM 903 NZ LYS A 57 9.797 -6.162 19.784 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.241 -10.357 18.155 1.00 33.31 H new ATOM 0 HA LYS A 57 11.798 -11.409 16.861 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.513 -10.015 18.899 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.408 -8.718 18.132 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.685 -8.454 16.427 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.830 -9.869 17.009 1.00 71.30 H new ATOM 0 HD2 LYS A 57 8.752 -7.836 17.848 1.00 14.43 H new ATOM 0 HD3 LYS A 57 9.421 -8.754 19.182 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.464 -7.276 19.110 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.684 -6.316 17.870 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 10.382 -5.344 20.049 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 8.882 -5.830 19.418 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.639 -6.760 20.620 1.00 52.31 H new ATOM 917 N CYS A 58 12.129 -10.244 14.699 1.00 72.13 N ATOM 918 CA CYS A 58 12.410 -9.688 13.390 1.00 62.31 C ATOM 919 C CYS A 58 11.932 -8.244 13.319 1.00 74.10 C ATOM 920 O CYS A 58 10.823 -7.927 13.759 1.00 14.35 O ATOM 921 CB CYS A 58 11.745 -10.520 12.295 1.00 65.03 C ATOM 922 SG CYS A 58 12.156 -9.972 10.609 1.00 34.12 S ATOM 0 H CYS A 58 11.319 -10.863 14.733 1.00 72.13 H new ATOM 0 HA CYS A 58 13.488 -9.711 13.231 1.00 62.31 H new ATOM 0 HB2 CYS A 58 12.043 -11.562 12.412 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.664 -10.481 12.427 1.00 65.03 H new ATOM 927 N LEU A 59 12.776 -7.376 12.782 1.00 20.31 N ATOM 928 CA LEU A 59 12.450 -5.966 12.654 1.00 35.20 C ATOM 929 C LEU A 59 12.066 -5.653 11.211 1.00 35.41 C ATOM 930 O LEU A 59 12.036 -6.547 10.366 1.00 75.32 O ATOM 931 CB LEU A 59 13.637 -5.100 13.087 1.00 75.13 C ATOM 932 CG LEU A 59 14.068 -5.257 14.547 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.296 -4.401 14.829 1.00 24.20 C ATOM 934 CD2 LEU A 59 12.921 -4.887 15.479 1.00 11.24 C ATOM 0 H LEU A 59 13.698 -7.627 12.426 1.00 20.31 H new ATOM 0 HA LEU A 59 11.605 -5.740 13.304 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.488 -5.335 12.448 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.385 -4.054 12.911 1.00 75.13 H new ATOM 0 HG LEU A 59 14.330 -6.299 14.728 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.592 -4.522 15.871 1.00 24.20 H new ATOM 0 HD12 LEU A 59 16.114 -4.714 14.180 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.061 -3.354 14.638 1.00 24.20 H new ATOM 0 HD21 LEU A 59 13.241 -5.003 16.514 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.629 -3.852 15.304 1.00 11.24 H new ATOM 0 HD23 LEU A 59 12.071 -5.541 15.287 1.00 11.24 H new ATOM 946 N ALA A 60 11.765 -4.390 10.932 1.00 33.55 N ATOM 947 CA ALA A 60 11.389 -3.962 9.587 1.00 14.42 C ATOM 948 C ALA A 60 12.618 -3.839 8.687 1.00 34.01 C ATOM 949 O ALA A 60 12.840 -2.812 8.042 1.00 3.23 O ATOM 950 CB ALA A 60 10.627 -2.649 9.649 1.00 21.55 C ATOM 0 H ALA A 60 11.774 -3.640 11.623 1.00 33.55 H new ATOM 0 HA ALA A 60 10.737 -4.720 9.153 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.352 -2.340 8.641 1.00 21.55 H new ATOM 0 HB2 ALA A 60 9.725 -2.780 10.247 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.256 -1.884 10.104 1.00 21.55 H new ATOM 956 N ASN A 61 13.407 -4.902 8.659 1.00 62.21 N ATOM 957 CA ASN A 61 14.596 -4.987 7.827 1.00 25.33 C ATOM 958 C ASN A 61 14.981 -6.453 7.663 1.00 24.31 C ATOM 959 O ASN A 61 14.426 -7.319 8.338 1.00 33.40 O ATOM 960 CB ASN A 61 15.754 -4.171 8.425 1.00 32.31 C ATOM 961 CG ASN A 61 16.108 -4.585 9.842 1.00 74.35 C ATOM 962 OD1 ASN A 61 15.511 -4.102 10.804 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.112 -5.435 9.981 1.00 4.55 N ATOM 0 H ASN A 61 13.238 -5.738 9.219 1.00 62.21 H new ATOM 0 HA ASN A 61 14.381 -4.560 6.848 1.00 25.33 H new ATOM 0 HB2 ASN A 61 16.633 -4.282 7.791 1.00 32.31 H new ATOM 0 HB3 ASN A 61 15.487 -3.114 8.418 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.419 -5.714 10.913 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.579 -5.812 9.156 1.00 4.55 H new ATOM 970 N GLY A 62 15.928 -6.735 6.782 1.00 21.23 N ATOM 971 CA GLY A 62 16.254 -8.114 6.458 1.00 43.34 C ATOM 972 C GLY A 62 17.256 -8.747 7.409 1.00 30.15 C ATOM 973 O GLY A 62 18.125 -9.509 6.979 1.00 74.22 O ATOM 0 H GLY A 62 16.479 -6.036 6.284 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.338 -8.705 6.464 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.653 -8.155 5.445 1.00 43.34 H new ATOM 977 N SER A 63 17.147 -8.443 8.697 1.00 32.44 N ATOM 978 CA SER A 63 18.037 -9.024 9.699 1.00 55.04 C ATOM 979 C SER A 63 17.384 -8.993 11.077 1.00 64.31 C ATOM 980 O SER A 63 16.559 -8.123 11.364 1.00 34.44 O ATOM 981 CB SER A 63 19.373 -8.272 9.751 1.00 2.41 C ATOM 982 OG SER A 63 19.926 -8.108 8.454 1.00 62.04 O ATOM 0 H SER A 63 16.452 -7.798 9.073 1.00 32.44 H new ATOM 0 HA SER A 63 18.227 -10.058 9.413 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.225 -7.295 10.211 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.075 -8.818 10.381 1.00 2.41 H new ATOM 0 HG SER A 63 20.776 -7.624 8.519 1.00 62.04 H new ATOM 988 N TRP A 64 17.758 -9.941 11.922 1.00 43.33 N ATOM 989 CA TRP A 64 17.244 -10.002 13.281 1.00 43.33 C ATOM 990 C TRP A 64 17.979 -8.993 14.163 1.00 14.23 C ATOM 991 O TRP A 64 19.002 -8.444 13.755 1.00 63.32 O ATOM 992 CB TRP A 64 17.407 -11.422 13.837 1.00 65.43 C ATOM 993 CG TRP A 64 16.736 -12.473 12.995 1.00 63.21 C ATOM 994 CD1 TRP A 64 17.257 -13.106 11.900 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.419 -13.010 13.178 1.00 51.21 C ATOM 996 NE1 TRP A 64 16.342 -13.995 11.387 1.00 61.14 N ATOM 997 CE2 TRP A 64 15.206 -13.957 12.156 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.398 -12.785 14.105 1.00 55.00 C ATOM 999 CZ2 TRP A 64 14.016 -14.669 12.036 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 13.218 -13.496 13.985 1.00 13.34 C ATOM 1001 CH2 TRP A 64 13.036 -14.427 12.958 1.00 30.45 C ATOM 0 H TRP A 64 18.419 -10.682 11.689 1.00 43.33 H new ATOM 0 HA TRP A 64 16.184 -9.750 13.275 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.469 -11.654 13.916 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.997 -11.459 14.846 1.00 65.43 H new ATOM 0 HD1 TRP A 64 18.244 -12.933 11.497 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.484 -14.586 10.568 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.528 -12.068 14.902 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.872 -15.387 11.242 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.423 -13.329 14.697 1.00 13.34 H new ATOM 0 HH2 TRP A 64 12.102 -14.966 12.892 1.00 30.45 H new ATOM 1012 N THR A 65 17.456 -8.757 15.362 1.00 64.24 N ATOM 1013 CA THR A 65 18.032 -7.783 16.288 1.00 62.45 C ATOM 1014 C THR A 65 19.512 -8.064 16.569 1.00 71.12 C ATOM 1015 O THR A 65 20.387 -7.271 16.218 1.00 30.41 O ATOM 1016 CB THR A 65 17.249 -7.774 17.612 1.00 0.54 C ATOM 1017 OG1 THR A 65 17.046 -9.121 18.069 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.903 -7.086 17.443 1.00 4.51 C ATOM 0 H THR A 65 16.626 -9.231 15.719 1.00 64.24 H new ATOM 0 HA THR A 65 17.959 -6.805 15.812 1.00 62.45 H new ATOM 0 HB THR A 65 17.832 -7.221 18.349 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.548 -9.109 18.913 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.369 -7.093 18.393 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.059 -6.056 17.122 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.315 -7.615 16.693 1.00 4.51 H new ATOM 1026 N ASP A 66 19.779 -9.192 17.206 1.00 71.12 N ATOM 1027 CA ASP A 66 21.145 -9.622 17.473 1.00 34.33 C ATOM 1028 C ASP A 66 21.335 -11.023 16.931 1.00 13.42 C ATOM 1029 O ASP A 66 20.953 -11.996 17.579 1.00 3.12 O ATOM 1030 CB ASP A 66 21.437 -9.622 18.978 1.00 63.41 C ATOM 1031 CG ASP A 66 22.900 -9.887 19.296 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.595 -8.950 19.743 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.365 -11.032 19.111 1.00 24.04 O1- ATOM 0 H ASP A 66 19.063 -9.832 17.551 1.00 71.12 H new ATOM 0 HA ASP A 66 21.830 -8.927 16.987 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.147 -8.659 19.399 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.822 -10.380 19.463 1.00 63.41 H new ATOM 1038 N MET A 67 21.888 -11.156 15.739 1.00 22.12 N ATOM 1039 CA MET A 67 22.045 -12.485 15.187 1.00 54.13 C ATOM 1040 C MET A 67 23.480 -12.976 15.362 1.00 53.22 C ATOM 1041 O MET A 67 24.297 -12.941 14.438 1.00 32.02 O ATOM 1042 CB MET A 67 21.625 -12.465 13.708 1.00 11.22 C ATOM 1043 CG MET A 67 21.852 -13.767 12.959 1.00 72.34 C ATOM 1044 SD MET A 67 21.126 -13.745 11.311 1.00 2.02 S ATOM 1045 CE MET A 67 21.720 -15.304 10.662 1.00 10.45 C ATOM 0 H MET A 67 22.224 -10.391 15.155 1.00 22.12 H new ATOM 0 HA MET A 67 21.404 -13.185 15.722 1.00 54.13 H new ATOM 0 HB2 MET A 67 20.567 -12.209 13.650 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.173 -11.671 13.201 1.00 11.22 H new ATOM 0 HG2 MET A 67 22.923 -13.955 12.879 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.425 -14.591 13.530 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.036 -15.662 9.893 1.00 10.45 H new ATOM 0 HE2 MET A 67 22.711 -15.164 10.230 1.00 10.45 H new ATOM 0 HE3 MET A 67 21.775 -16.036 11.468 1.00 10.45 H new ATOM 1055 N ASP A 68 23.776 -13.371 16.597 1.00 24.31 N ATOM 1056 CA ASP A 68 24.905 -14.235 16.932 1.00 2.01 C ATOM 1057 C ASP A 68 24.796 -14.628 18.397 1.00 63.14 C ATOM 1058 O ASP A 68 25.290 -13.908 19.265 1.00 55.15 O ATOM 1059 CB ASP A 68 26.260 -13.579 16.657 1.00 13.54 C ATOM 1060 CG ASP A 68 27.397 -14.566 16.826 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.027 -14.585 17.904 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.650 -15.351 15.887 1.00 51.53 O1- ATOM 0 H ASP A 68 23.226 -13.094 17.410 1.00 24.31 H new ATOM 0 HA ASP A 68 24.858 -15.116 16.291 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.272 -13.177 15.644 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.403 -12.738 17.335 1.00 13.54 H new ATOM 1067 N THR A 69 24.125 -15.719 18.703 1.00 35.52 N ATOM 1068 CA THR A 69 23.865 -16.039 20.097 1.00 74.33 C ATOM 1069 C THR A 69 24.124 -17.514 20.404 1.00 61.54 C ATOM 1070 O THR A 69 23.507 -18.403 19.817 1.00 13.04 O ATOM 1071 CB THR A 69 22.416 -15.670 20.472 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.051 -14.437 19.830 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.268 -15.505 21.973 1.00 22.51 C ATOM 0 H THR A 69 23.756 -16.387 18.026 1.00 35.52 H new ATOM 0 HA THR A 69 24.556 -15.449 20.698 1.00 74.33 H new ATOM 0 HB THR A 69 21.763 -16.477 20.140 1.00 11.41 H new ATOM 0 HG1 THR A 69 21.519 -14.630 19.030 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.236 -15.245 22.210 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.530 -16.439 22.469 1.00 22.51 H new ATOM 0 HG23 THR A 69 22.931 -14.712 22.319 1.00 22.51 H new ATOM 1081 N PRO A 70 25.064 -17.783 21.322 1.00 34.41 N ATOM 1082 CA PRO A 70 25.399 -19.141 21.738 1.00 42.43 C ATOM 1083 C PRO A 70 24.449 -19.678 22.811 1.00 23.34 C ATOM 1084 O PRO A 70 24.492 -19.259 23.970 1.00 64.14 O ATOM 1085 CB PRO A 70 26.812 -18.985 22.294 1.00 61.51 C ATOM 1086 CG PRO A 70 26.857 -17.596 22.839 1.00 11.35 C ATOM 1087 CD PRO A 70 25.892 -16.777 22.015 1.00 41.03 C ATOM 0 HA PRO A 70 25.320 -19.856 20.919 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.015 -19.722 23.072 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.561 -19.129 21.516 1.00 61.51 H new ATOM 0 HG2 PRO A 70 26.575 -17.584 23.892 1.00 11.35 H new ATOM 0 HG3 PRO A 70 27.865 -17.187 22.775 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.285 -16.126 22.644 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.417 -16.137 21.306 1.00 41.03 H new ATOM 1095 N SER A 71 23.583 -20.593 22.418 1.00 21.45 N ATOM 1096 CA SER A 71 22.648 -21.202 23.347 1.00 53.41 C ATOM 1097 C SER A 71 23.197 -22.526 23.881 1.00 14.12 C ATOM 1098 O SER A 71 23.223 -23.534 23.174 1.00 73.30 O ATOM 1099 CB SER A 71 21.301 -21.401 22.652 1.00 41.55 C ATOM 1100 OG SER A 71 21.472 -21.994 21.375 1.00 70.34 O ATOM 0 H SER A 71 23.507 -20.932 21.459 1.00 21.45 H new ATOM 0 HA SER A 71 22.508 -20.541 24.202 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.660 -22.032 23.267 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.796 -20.441 22.547 1.00 41.55 H new ATOM 0 HG SER A 71 22.099 -22.744 21.444 1.00 70.34 H new ATOM 1106 N ARG A 72 23.647 -22.512 25.132 1.00 45.03 N ATOM 1107 CA ARG A 72 24.243 -23.694 25.749 1.00 4.44 C ATOM 1108 C ARG A 72 23.175 -24.553 26.431 1.00 75.30 C ATOM 1109 O ARG A 72 22.405 -24.066 27.264 1.00 23.40 O ATOM 1110 CB ARG A 72 25.328 -23.276 26.755 1.00 34.44 C ATOM 1111 CG ARG A 72 24.829 -22.323 27.832 1.00 12.31 C ATOM 1112 CD ARG A 72 25.932 -21.922 28.795 1.00 24.33 C ATOM 1113 NE ARG A 72 27.023 -21.215 28.125 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.265 -19.912 28.266 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.459 -19.156 29.003 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.309 -19.369 27.652 1.00 31.31 N ATOM 0 H ARG A 72 23.610 -21.694 25.740 1.00 45.03 H new ATOM 0 HA ARG A 72 24.705 -24.295 24.966 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.733 -24.169 27.231 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.149 -22.803 26.215 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.416 -21.430 27.362 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.018 -22.796 28.386 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.516 -21.286 29.577 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.326 -22.813 29.285 1.00 24.33 H new ATOM 0 HE ARG A 72 27.636 -21.752 27.512 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.650 -19.572 29.464 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.649 -18.159 29.108 1.00 45.44 H new ATOM 0 HH21 ARG A 72 28.920 -19.948 27.077 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.500 -18.372 27.756 1.00 31.31 H new ATOM 1130 N CYS A 73 23.122 -25.826 26.057 1.00 4.41 N ATOM 1131 CA CYS A 73 22.154 -26.756 26.630 1.00 74.22 C ATOM 1132 C CYS A 73 22.532 -27.106 28.066 1.00 15.32 C ATOM 1133 O CYS A 73 23.633 -27.597 28.328 1.00 21.44 O ATOM 1134 CB CYS A 73 22.077 -28.030 25.788 1.00 72.10 C ATOM 1135 SG CYS A 73 21.701 -27.740 24.027 1.00 53.24 S ATOM 0 H CYS A 73 23.739 -26.239 25.358 1.00 4.41 H new ATOM 0 HA CYS A 73 21.177 -26.273 26.632 1.00 74.22 H new ATOM 0 HB2 CYS A 73 23.027 -28.560 25.863 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.313 -28.684 26.208 1.00 72.10 H new ATOM 1140 N VAL A 74 21.623 -26.839 28.992 1.00 70.53 N ATOM 1141 CA VAL A 74 21.853 -27.116 30.404 1.00 64.52 C ATOM 1142 C VAL A 74 20.599 -27.721 31.021 1.00 43.42 C ATOM 1143 O VAL A 74 19.486 -27.260 30.760 1.00 34.31 O ATOM 1144 CB VAL A 74 22.247 -25.839 31.188 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.421 -26.133 32.673 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.524 -25.231 30.623 1.00 43.31 C ATOM 0 H VAL A 74 20.712 -26.428 28.789 1.00 70.53 H new ATOM 0 HA VAL A 74 22.683 -27.820 30.470 1.00 64.52 H new ATOM 0 HB VAL A 74 21.435 -25.121 31.075 1.00 54.13 H new ATOM 0 HG11 VAL A 74 22.697 -25.217 33.195 1.00 11.41 H new ATOM 0 HG12 VAL A 74 21.485 -26.515 33.080 1.00 11.41 H new ATOM 0 HG13 VAL A 74 23.206 -26.878 32.807 1.00 11.41 H new ATOM 0 HG21 VAL A 74 23.782 -24.336 31.189 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.336 -25.954 30.699 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.369 -24.967 29.577 1.00 43.31 H new ATOM 1156 N ARG A 75 20.781 -28.758 31.824 1.00 64.45 N ATOM 1157 CA ARG A 75 19.661 -29.432 32.456 1.00 54.13 C ATOM 1158 C ARG A 75 19.918 -29.619 33.953 1.00 45.21 C ATOM 1159 O ARG A 75 20.201 -30.755 34.382 1.00 37.22 O ATOM 1160 CB ARG A 75 19.396 -30.781 31.774 1.00 55.34 C ATOM 1161 CG ARG A 75 20.632 -31.654 31.615 1.00 43.51 C ATOM 1162 CD ARG A 75 20.321 -33.092 31.986 1.00 51.22 C ATOM 1163 NE ARG A 75 19.772 -33.182 33.335 1.00 74.41 N ATOM 1164 CZ ARG A 75 19.346 -34.307 33.902 1.00 23.14 C ATOM 1165 NH1 ARG A 75 19.495 -35.476 33.285 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 18.793 -34.265 35.102 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.862 -28.615 34.690 1.00 37.22 O ATOM 0 H ARG A 75 21.694 -29.150 32.053 1.00 64.45 H new ATOM 0 HA ARG A 75 18.773 -28.810 32.342 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.651 -31.328 32.352 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.965 -30.599 30.790 1.00 55.34 H new ATOM 0 HG2 ARG A 75 20.987 -31.607 30.586 1.00 43.51 H new ATOM 0 HG3 ARG A 75 21.435 -31.275 32.247 1.00 43.51 H new ATOM 0 HD2 ARG A 75 19.610 -33.509 31.273 1.00 51.22 H new ATOM 0 HD3 ARG A 75 21.229 -33.692 31.919 1.00 51.22 H new ATOM 0 HE ARG A 75 19.711 -32.323 33.881 1.00 74.41 H new ATOM 0 HH11 ARG A 75 19.940 -35.516 32.368 1.00 33.54 H new ATOM 0 HH12 ARG A 75 19.165 -36.333 33.729 1.00 33.54 H new ATOM 0 HH21 ARG A 75 18.695 -33.373 35.587 1.00 4.05 H new ATOM 0 HH22 ARG A 75 18.464 -35.124 35.542 1.00 4.05 H new TER 1181 ARG A 75