USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 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= 0.116 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.471 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.111 F(o=-1.2!,f=-0.11) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0337 F(o=-1.2!,f=-0.034) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.2) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.4! USER MOD Single : A 42 TYR OH : rot 180:sc= 0.349 USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= 0.941 (180deg=0.288) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.488 F(o=-1.3,f=-0.49) USER MOD Single : A 63 SER OG : rot -16:sc= 0.845 USER MOD Single : A 65 THR OG1 : rot -162:sc= 0.242 USER MOD Single : A 67 MET CE :methyl -109:sc= -0.378 (180deg=-1.21) USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.413 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.157 -3.829 -2.307 1.00 35.34 N ATOM 2 CA GLY A 1 2.423 -3.531 -3.014 1.00 55.43 C ATOM 3 C GLY A 1 3.552 -4.425 -2.547 1.00 51.14 C ATOM 4 O GLY A 1 3.330 -5.320 -1.735 1.00 72.35 O ATOM 0 H1 GLY A 1 0.399 -3.982 -3.002 1.00 35.34 H new ATOM 0 H2 GLY A 1 1.275 -4.686 -1.729 1.00 35.34 H new ATOM 0 H3 GLY A 1 0.906 -3.029 -1.692 1.00 35.34 H new ATOM 0 HA2 GLY A 1 2.279 -3.658 -4.087 1.00 55.43 H new ATOM 0 HA3 GLY A 1 2.694 -2.488 -2.850 1.00 55.43 H new ATOM 10 N PRO A 2 4.782 -4.191 -3.023 1.00 72.10 N ATOM 11 CA PRO A 2 5.935 -5.025 -2.701 1.00 11.23 C ATOM 12 C PRO A 2 6.598 -4.621 -1.388 1.00 35.21 C ATOM 13 O PRO A 2 7.805 -4.788 -1.216 1.00 11.13 O ATOM 14 CB PRO A 2 6.895 -4.784 -3.877 1.00 52.12 C ATOM 15 CG PRO A 2 6.313 -3.664 -4.688 1.00 45.52 C ATOM 16 CD PRO A 2 5.162 -3.090 -3.908 1.00 34.41 C ATOM 0 HA PRO A 2 5.652 -6.069 -2.570 1.00 11.23 H new ATOM 0 HB2 PRO A 2 7.890 -4.524 -3.517 1.00 52.12 H new ATOM 0 HB3 PRO A 2 7.000 -5.685 -4.481 1.00 52.12 H new ATOM 0 HG2 PRO A 2 7.065 -2.899 -4.880 1.00 45.52 H new ATOM 0 HG3 PRO A 2 5.975 -4.029 -5.658 1.00 45.52 H new ATOM 0 HD2 PRO A 2 5.457 -2.204 -3.346 1.00 34.41 H new ATOM 0 HD3 PRO A 2 4.340 -2.794 -4.560 1.00 34.41 H new ATOM 24 N THR A 3 5.807 -4.110 -0.458 1.00 75.23 N ATOM 25 CA THR A 3 6.332 -3.700 0.830 1.00 20.44 C ATOM 26 C THR A 3 6.522 -4.913 1.730 1.00 14.14 C ATOM 27 O THR A 3 5.566 -5.417 2.325 1.00 41.35 O ATOM 28 CB THR A 3 5.400 -2.688 1.520 1.00 44.42 C ATOM 29 OG1 THR A 3 4.063 -3.199 1.543 1.00 62.22 O ATOM 30 CG2 THR A 3 5.423 -1.351 0.799 1.00 1.30 C ATOM 0 H THR A 3 4.803 -3.970 -0.572 1.00 75.23 H new ATOM 0 HA THR A 3 7.294 -3.218 0.657 1.00 20.44 H new ATOM 0 HB THR A 3 5.752 -2.537 2.540 1.00 44.42 H new ATOM 0 HG1 THR A 3 4.076 -4.136 1.830 1.00 62.22 H new ATOM 0 HG21 THR A 3 4.757 -0.653 1.306 1.00 1.30 H new ATOM 0 HG22 THR A 3 6.438 -0.952 0.804 1.00 1.30 H new ATOM 0 HG23 THR A 3 5.091 -1.487 -0.230 1.00 1.30 H new ATOM 38 N SER A 4 7.751 -5.395 1.804 1.00 71.02 N ATOM 39 CA SER A 4 8.059 -6.557 2.611 1.00 42.34 C ATOM 40 C SER A 4 9.227 -6.268 3.540 1.00 25.41 C ATOM 41 O SER A 4 10.389 -6.308 3.136 1.00 72.11 O ATOM 42 CB SER A 4 8.386 -7.754 1.715 1.00 74.12 C ATOM 43 OG SER A 4 7.330 -8.016 0.804 1.00 34.13 O ATOM 0 H SER A 4 8.551 -4.997 1.313 1.00 71.02 H new ATOM 0 HA SER A 4 7.184 -6.796 3.216 1.00 42.34 H new ATOM 0 HB2 SER A 4 9.306 -7.558 1.163 1.00 74.12 H new ATOM 0 HB3 SER A 4 8.565 -8.635 2.331 1.00 74.12 H new ATOM 0 HG SER A 4 7.565 -8.784 0.243 1.00 34.13 H new ATOM 49 N GLU A 5 8.910 -5.950 4.781 1.00 73.11 N ATOM 50 CA GLU A 5 9.931 -5.773 5.794 1.00 2.22 C ATOM 51 C GLU A 5 9.977 -7.019 6.662 1.00 63.11 C ATOM 52 O GLU A 5 9.139 -7.204 7.548 1.00 33.12 O ATOM 53 CB GLU A 5 9.642 -4.532 6.636 1.00 74.03 C ATOM 54 CG GLU A 5 9.553 -3.255 5.814 1.00 3.23 C ATOM 55 CD GLU A 5 9.230 -2.037 6.650 1.00 61.35 C ATOM 56 OE1 GLU A 5 10.153 -1.242 6.931 1.00 21.51 O ATOM 57 OE2 GLU A 5 8.054 -1.862 7.023 1.00 22.25 O1- ATOM 0 H GLU A 5 7.955 -5.809 5.111 1.00 73.11 H new ATOM 0 HA GLU A 5 10.901 -5.627 5.318 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.705 -4.676 7.173 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.425 -4.420 7.386 1.00 74.03 H new ATOM 0 HG2 GLU A 5 10.500 -3.094 5.298 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.788 -3.376 5.047 1.00 3.23 H new ATOM 64 N GLY A 6 10.928 -7.890 6.377 1.00 13.15 N ATOM 65 CA GLY A 6 10.993 -9.156 7.066 1.00 42.42 C ATOM 66 C GLY A 6 12.352 -9.800 6.966 1.00 52.24 C ATOM 67 O GLY A 6 13.171 -9.426 6.125 1.00 3.43 O ATOM 0 H GLY A 6 11.657 -7.742 5.679 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.742 -9.007 8.116 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.244 -9.830 6.651 1.00 42.42 H new ATOM 71 N CYS A 7 12.578 -10.775 7.821 1.00 10.20 N ATOM 72 CA CYS A 7 13.839 -11.481 7.882 1.00 70.11 C ATOM 73 C CYS A 7 13.680 -12.859 7.257 1.00 4.44 C ATOM 74 O CYS A 7 12.590 -13.428 7.290 1.00 72.14 O ATOM 75 CB CYS A 7 14.274 -11.619 9.343 1.00 4.33 C ATOM 76 SG CYS A 7 14.271 -10.055 10.289 1.00 21.12 S ATOM 0 H CYS A 7 11.887 -11.101 8.497 1.00 10.20 H new ATOM 0 HA CYS A 7 14.598 -10.924 7.332 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.613 -12.330 9.839 1.00 4.33 H new ATOM 0 HB3 CYS A 7 15.278 -12.043 9.371 1.00 4.33 H new ATOM 81 N GLN A 8 14.749 -13.398 6.681 1.00 15.12 N ATOM 82 CA GLN A 8 14.692 -14.739 6.113 1.00 64.14 C ATOM 83 C GLN A 8 14.664 -15.790 7.219 1.00 64.22 C ATOM 84 O GLN A 8 14.714 -15.465 8.410 1.00 1.10 O ATOM 85 CB GLN A 8 15.877 -15.006 5.177 1.00 50.41 C ATOM 86 CG GLN A 8 17.237 -14.920 5.857 1.00 43.35 C ATOM 87 CD GLN A 8 18.352 -15.557 5.042 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.050 -16.656 4.360 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.488 -15.091 5.059 1.00 23.50 N flip ATOM 0 H GLN A 8 15.654 -12.934 6.596 1.00 15.12 H new ATOM 0 HA GLN A 8 13.774 -14.805 5.530 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.764 -15.997 4.739 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.847 -14.289 4.356 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.480 -13.873 6.039 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.182 -15.408 6.830 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.684 -14.245 5.594 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.235 -15.550 4.538 1.00 23.50 H new ATOM 98 N ILE A 9 14.605 -17.048 6.815 1.00 54.54 N ATOM 99 CA ILE A 9 14.543 -18.153 7.759 1.00 64.42 C ATOM 100 C ILE A 9 15.953 -18.596 8.146 1.00 73.43 C ATOM 101 O ILE A 9 16.859 -18.620 7.312 1.00 71.43 O ATOM 102 CB ILE A 9 13.751 -19.343 7.162 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.614 -20.478 8.184 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.416 -19.848 5.884 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.861 -21.680 7.655 1.00 23.41 C ATOM 0 H ILE A 9 14.599 -17.331 5.835 1.00 54.54 H new ATOM 0 HA ILE A 9 14.023 -17.811 8.654 1.00 64.42 H new ATOM 0 HB ILE A 9 12.751 -18.990 6.912 1.00 54.42 H new ATOM 0 HG12 ILE A 9 14.608 -20.793 8.501 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.102 -20.099 9.069 1.00 1.03 H new ATOM 0 HG21 ILE A 9 13.843 -20.684 5.482 1.00 60.45 H new ATOM 0 HG22 ILE A 9 14.450 -19.044 5.149 1.00 60.45 H new ATOM 0 HG23 ILE A 9 15.431 -20.178 6.108 1.00 60.45 H new ATOM 0 HD11 ILE A 9 12.802 -22.443 8.431 1.00 23.41 H new ATOM 0 HD12 ILE A 9 11.854 -21.380 7.365 1.00 23.41 H new ATOM 0 HD13 ILE A 9 13.383 -22.084 6.788 1.00 23.41 H new ATOM 117 N ILE A 10 16.140 -18.923 9.418 1.00 1.44 N ATOM 118 CA ILE A 10 17.452 -19.298 9.929 1.00 53.14 C ATOM 119 C ILE A 10 17.615 -20.815 9.952 1.00 15.30 C ATOM 120 O ILE A 10 16.709 -21.541 10.359 1.00 44.43 O ATOM 121 CB ILE A 10 17.675 -18.741 11.352 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.440 -17.227 11.374 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.083 -19.065 11.836 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.559 -16.614 12.753 1.00 42.33 C ATOM 0 H ILE A 10 15.397 -18.936 10.117 1.00 1.44 H new ATOM 0 HA ILE A 10 18.195 -18.867 9.258 1.00 53.14 H new ATOM 0 HB ILE A 10 16.960 -19.214 12.025 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.158 -16.747 10.709 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.447 -17.016 10.977 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.223 -18.665 12.840 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.222 -20.146 11.853 1.00 25.05 H new ATOM 0 HG23 ILE A 10 19.812 -18.616 11.162 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.380 -15.541 12.691 1.00 42.33 H new ATOM 0 HD12 ILE A 10 16.823 -17.067 13.417 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.560 -16.793 13.146 1.00 42.33 H new ATOM 136 N HIS A 11 18.773 -21.280 9.507 1.00 11.24 N ATOM 137 CA HIS A 11 19.077 -22.700 9.502 1.00 24.14 C ATOM 138 C HIS A 11 19.721 -23.087 10.829 1.00 73.03 C ATOM 139 O HIS A 11 20.643 -22.411 11.281 1.00 11.43 O ATOM 140 CB HIS A 11 20.023 -23.025 8.343 1.00 24.23 C ATOM 141 CG HIS A 11 19.823 -24.390 7.766 1.00 51.10 C ATOM 142 ND1 HIS A 11 20.686 -25.443 7.981 1.00 34.40 N ATOM 143 CD2 HIS A 11 18.841 -24.865 6.969 1.00 73.31 C ATOM 144 CE1 HIS A 11 20.245 -26.508 7.333 1.00 41.44 C ATOM 145 NE2 HIS A 11 19.123 -26.183 6.712 1.00 32.35 N ATOM 0 H HIS A 11 19.520 -20.689 9.143 1.00 11.24 H new ATOM 0 HA HIS A 11 18.155 -23.268 9.373 1.00 24.14 H new ATOM 0 HB2 HIS A 11 19.886 -22.284 7.555 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.052 -22.935 8.690 1.00 24.23 H new ATOM 0 HD2 HIS A 11 17.991 -24.310 6.602 1.00 73.31 H new ATOM 0 HE1 HIS A 11 20.720 -27.478 7.314 1.00 41.44 H new ATOM 0 HE2 HIS A 11 18.560 -26.809 6.137 1.00 32.35 H new ATOM 154 N PRO A 12 19.231 -24.161 11.477 1.00 62.10 N ATOM 155 CA PRO A 12 19.752 -24.614 12.776 1.00 31.33 C ATOM 156 C PRO A 12 21.246 -24.929 12.726 1.00 62.52 C ATOM 157 O PRO A 12 21.667 -25.898 12.088 1.00 11.24 O ATOM 158 CB PRO A 12 18.948 -25.883 13.071 1.00 52.40 C ATOM 159 CG PRO A 12 17.718 -25.761 12.240 1.00 51.45 C ATOM 160 CD PRO A 12 18.126 -25.012 11.003 1.00 4.22 C ATOM 0 HA PRO A 12 19.648 -23.845 13.541 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.513 -26.778 12.811 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.703 -25.958 14.130 1.00 52.40 H new ATOM 0 HG2 PRO A 12 17.319 -26.743 11.987 1.00 51.45 H new ATOM 0 HG3 PRO A 12 16.935 -25.228 12.779 1.00 51.45 H new ATOM 0 HD2 PRO A 12 18.449 -25.688 10.211 1.00 4.22 H new ATOM 0 HD3 PRO A 12 17.304 -24.419 10.601 1.00 4.22 H new ATOM 168 N PRO A 13 22.072 -24.095 13.378 1.00 72.42 N ATOM 169 CA PRO A 13 23.523 -24.262 13.378 1.00 11.03 C ATOM 170 C PRO A 13 23.975 -25.395 14.293 1.00 21.12 C ATOM 171 O PRO A 13 24.600 -26.354 13.850 1.00 10.42 O ATOM 172 CB PRO A 13 24.053 -22.913 13.893 1.00 63.12 C ATOM 173 CG PRO A 13 22.860 -22.016 14.025 1.00 12.24 C ATOM 174 CD PRO A 13 21.663 -22.913 14.147 1.00 11.22 C ATOM 0 HA PRO A 13 23.896 -24.525 12.388 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.557 -23.034 14.852 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.782 -22.492 13.201 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.953 -21.373 14.900 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.768 -21.363 13.157 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.445 -23.160 15.186 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.766 -22.451 13.735 1.00 11.22 H new ATOM 182 N TRP A 14 23.641 -25.281 15.572 1.00 13.53 N ATOM 183 CA TRP A 14 24.067 -26.251 16.569 1.00 55.11 C ATOM 184 C TRP A 14 23.013 -27.345 16.711 1.00 13.40 C ATOM 185 O TRP A 14 21.998 -27.324 16.014 1.00 31.14 O ATOM 186 CB TRP A 14 24.309 -25.548 17.910 1.00 53.25 C ATOM 187 CG TRP A 14 25.396 -26.180 18.730 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.275 -26.734 19.972 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.773 -26.322 18.360 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.494 -27.206 20.397 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.428 -26.965 19.425 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.515 -25.964 17.229 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.790 -27.261 19.391 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.866 -26.259 17.197 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.491 -26.900 18.273 1.00 71.42 C ATOM 0 H TRP A 14 23.072 -24.520 15.944 1.00 13.53 H new ATOM 0 HA TRP A 14 25.001 -26.713 16.250 1.00 55.11 H new ATOM 0 HB2 TRP A 14 24.565 -24.505 17.723 1.00 53.25 H new ATOM 0 HB3 TRP A 14 23.383 -25.551 18.485 1.00 53.25 H new ATOM 0 HD1 TRP A 14 24.357 -26.793 20.537 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.674 -27.662 21.292 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.041 -25.466 16.396 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.275 -27.758 20.218 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.448 -25.990 16.328 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.548 -27.114 18.220 1.00 71.42 H new ATOM 206 N GLU A 15 23.248 -28.292 17.614 1.00 44.34 N ATOM 207 CA GLU A 15 22.341 -29.427 17.814 1.00 22.34 C ATOM 208 C GLU A 15 21.025 -29.008 18.486 1.00 24.33 C ATOM 209 O GLU A 15 20.270 -29.851 18.976 1.00 3.10 O ATOM 210 CB GLU A 15 23.038 -30.508 18.643 1.00 35.12 C ATOM 211 CG GLU A 15 23.410 -30.061 20.047 1.00 53.31 C ATOM 212 CD GLU A 15 24.191 -31.117 20.798 1.00 41.30 C ATOM 213 OE1 GLU A 15 23.582 -32.101 21.262 1.00 63.35 O ATOM 214 OE2 GLU A 15 25.424 -30.968 20.929 1.00 74.13 O1- ATOM 0 H GLU A 15 24.064 -28.299 18.225 1.00 44.34 H new ATOM 0 HA GLU A 15 22.088 -29.824 16.831 1.00 22.34 H new ATOM 0 HB2 GLU A 15 22.385 -31.378 18.710 1.00 35.12 H new ATOM 0 HB3 GLU A 15 23.941 -30.826 18.122 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.001 -29.147 19.990 1.00 53.31 H new ATOM 0 HG3 GLU A 15 22.503 -29.820 20.601 1.00 53.31 H new ATOM 221 N GLY A 16 20.750 -27.710 18.494 1.00 71.54 N ATOM 222 CA GLY A 16 19.499 -27.217 19.022 1.00 11.25 C ATOM 223 C GLY A 16 18.483 -26.990 17.922 1.00 0.41 C ATOM 224 O GLY A 16 18.482 -27.702 16.918 1.00 33.22 O ATOM 0 H GLY A 16 21.378 -26.988 18.141 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.102 -27.930 19.744 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.672 -26.283 19.558 1.00 11.25 H new ATOM 228 N GLY A 17 17.628 -25.999 18.102 1.00 23.54 N ATOM 229 CA GLY A 17 16.623 -25.690 17.108 1.00 23.21 C ATOM 230 C GLY A 17 15.994 -24.335 17.348 1.00 4.21 C ATOM 231 O GLY A 17 16.460 -23.570 18.192 1.00 73.45 O ATOM 0 H GLY A 17 17.612 -25.398 18.926 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.074 -25.711 16.116 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.849 -26.458 17.122 1.00 23.21 H new ATOM 235 N ILE A 18 14.933 -24.031 16.619 1.00 13.11 N ATOM 236 CA ILE A 18 14.251 -22.758 16.767 1.00 4.12 C ATOM 237 C ILE A 18 12.757 -22.962 16.950 1.00 21.53 C ATOM 238 O ILE A 18 12.134 -23.764 16.252 1.00 64.33 O ATOM 239 CB ILE A 18 14.523 -21.826 15.564 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.962 -21.319 15.640 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.541 -20.660 15.532 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.332 -20.340 14.544 1.00 70.34 C ATOM 0 H ILE A 18 14.526 -24.650 15.918 1.00 13.11 H new ATOM 0 HA ILE A 18 14.649 -22.278 17.661 1.00 4.12 H new ATOM 0 HB ILE A 18 14.384 -22.390 14.642 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.117 -20.841 16.607 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.639 -22.172 15.594 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.759 -20.024 14.674 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.524 -21.043 15.450 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.637 -20.078 16.449 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.369 -20.028 14.669 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.212 -20.819 13.572 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.681 -19.467 14.601 1.00 70.34 H new ATOM 254 N ARG A 19 12.200 -22.245 17.908 1.00 44.43 N ATOM 255 CA ARG A 19 10.792 -22.347 18.219 1.00 12.34 C ATOM 256 C ARG A 19 10.062 -21.109 17.727 1.00 54.31 C ATOM 257 O ARG A 19 10.543 -19.988 17.903 1.00 14.40 O ATOM 258 CB ARG A 19 10.610 -22.496 19.725 1.00 21.13 C ATOM 259 CG ARG A 19 9.405 -23.343 20.105 1.00 74.22 C ATOM 260 CD ARG A 19 9.608 -24.793 19.702 1.00 2.13 C ATOM 261 NE ARG A 19 8.388 -25.589 19.833 1.00 34.34 N ATOM 262 CZ ARG A 19 8.352 -26.826 20.331 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.436 -27.361 20.885 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.217 -27.512 20.309 1.00 45.00 N ATOM 0 H ARG A 19 12.710 -21.579 18.488 1.00 44.43 H new ATOM 0 HA ARG A 19 10.376 -23.222 17.720 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.508 -22.944 20.150 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.505 -21.507 20.171 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.237 -23.281 21.180 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.512 -22.949 19.620 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.955 -24.834 18.670 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.392 -25.232 20.320 1.00 2.13 H new ATOM 0 HE ARG A 19 7.510 -25.172 19.524 1.00 34.34 H new ATOM 0 HH11 ARG A 19 10.303 -26.825 20.931 1.00 45.21 H new ATOM 0 HH12 ARG A 19 9.401 -28.307 21.264 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.376 -27.093 19.912 1.00 45.00 H new ATOM 0 HH22 ARG A 19 7.185 -28.458 20.689 1.00 45.00 H new ATOM 278 N TYR A 20 8.918 -21.315 17.097 1.00 74.35 N ATOM 279 CA TYR A 20 8.119 -20.212 16.594 1.00 40.55 C ATOM 280 C TYR A 20 6.959 -19.931 17.545 1.00 34.25 C ATOM 281 O TYR A 20 6.895 -20.506 18.631 1.00 72.21 O ATOM 282 CB TYR A 20 7.599 -20.542 15.191 1.00 12.44 C ATOM 283 CG TYR A 20 8.691 -20.656 14.150 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.379 -21.848 13.963 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.037 -19.569 13.357 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.381 -21.952 13.018 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.035 -19.667 12.410 1.00 52.11 C ATOM 288 CZ TYR A 20 10.703 -20.858 12.245 1.00 34.52 C ATOM 289 OH TYR A 20 11.701 -20.952 11.305 1.00 22.43 O ATOM 0 H TYR A 20 8.521 -22.238 16.922 1.00 74.35 H new ATOM 0 HA TYR A 20 8.740 -19.318 16.533 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.046 -21.481 15.229 1.00 12.44 H new ATOM 0 HB3 TYR A 20 6.895 -19.769 14.883 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.126 -22.707 14.566 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.516 -18.632 13.484 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.909 -22.885 12.886 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.291 -18.813 11.801 1.00 52.11 H new ATOM 0 HH TYR A 20 11.800 -20.092 10.846 1.00 22.43 H new ATOM 299 N ARG A 21 6.035 -19.068 17.138 1.00 4.04 N ATOM 300 CA ARG A 21 4.899 -18.720 17.989 1.00 43.13 C ATOM 301 C ARG A 21 3.814 -19.785 17.931 1.00 4.10 C ATOM 302 O ARG A 21 3.256 -20.173 18.957 1.00 52.41 O ATOM 303 CB ARG A 21 4.297 -17.376 17.592 1.00 74.30 C ATOM 304 CG ARG A 21 4.872 -16.193 18.348 1.00 52.33 C ATOM 305 CD ARG A 21 4.007 -14.963 18.148 1.00 1.31 C ATOM 306 NE ARG A 21 4.396 -13.857 19.017 1.00 72.30 N ATOM 307 CZ ARG A 21 3.529 -13.134 19.724 1.00 63.53 C ATOM 308 NH1 ARG A 21 2.262 -13.521 19.813 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 3.940 -12.060 20.385 1.00 24.04 N ATOM 0 H ARG A 21 6.048 -18.599 16.232 1.00 4.04 H new ATOM 0 HA ARG A 21 5.281 -18.654 19.008 1.00 43.13 H new ATOM 0 HB2 ARG A 21 4.452 -17.222 16.524 1.00 74.30 H new ATOM 0 HB3 ARG A 21 3.220 -17.410 17.756 1.00 74.30 H new ATOM 0 HG2 ARG A 21 4.938 -16.430 19.410 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.886 -15.992 18.003 1.00 52.33 H new ATOM 0 HD2 ARG A 21 4.071 -14.643 17.108 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.965 -15.221 18.338 1.00 1.31 H new ATOM 0 HE ARG A 21 5.387 -13.625 19.087 1.00 72.30 H new ATOM 0 HH11 ARG A 21 1.954 -14.371 19.340 1.00 42.32 H new ATOM 0 HH12 ARG A 21 1.597 -12.969 20.354 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.922 -11.786 20.353 1.00 24.04 H new ATOM 0 HH22 ARG A 21 3.274 -11.508 20.926 1.00 24.04 H new ATOM 323 N GLY A 22 3.511 -20.246 16.728 1.00 11.55 N ATOM 324 CA GLY A 22 2.470 -21.238 16.560 1.00 50.05 C ATOM 325 C GLY A 22 2.515 -21.884 15.197 1.00 71.12 C ATOM 326 O GLY A 22 1.570 -21.777 14.418 1.00 54.54 O ATOM 0 H GLY A 22 3.967 -19.951 15.865 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.574 -22.005 17.328 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.497 -20.770 16.707 1.00 50.05 H new ATOM 330 N LEU A 23 3.617 -22.549 14.905 1.00 51.01 N ATOM 331 CA LEU A 23 3.783 -23.205 13.622 1.00 52.44 C ATOM 332 C LEU A 23 4.011 -24.695 13.813 1.00 5.12 C ATOM 333 O LEU A 23 4.993 -25.108 14.428 1.00 0.51 O ATOM 334 CB LEU A 23 4.943 -22.586 12.837 1.00 44.13 C ATOM 335 CG LEU A 23 4.759 -21.117 12.445 1.00 45.22 C ATOM 336 CD1 LEU A 23 5.950 -20.630 11.636 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.469 -20.930 11.660 1.00 3.33 C ATOM 0 H LEU A 23 4.410 -22.649 15.539 1.00 51.01 H new ATOM 0 HA LEU A 23 2.868 -23.062 13.048 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.851 -22.675 13.433 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.099 -23.170 11.930 1.00 44.13 H new ATOM 0 HG LEU A 23 4.695 -20.523 13.357 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.803 -19.584 11.366 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.858 -20.727 12.231 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.044 -21.229 10.730 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.356 -19.880 11.391 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.503 -21.535 10.754 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.622 -21.241 12.272 1.00 3.33 H new ATOM 349 N THR A 24 3.081 -25.487 13.302 1.00 45.31 N ATOM 350 CA THR A 24 3.204 -26.936 13.325 1.00 75.32 C ATOM 351 C THR A 24 4.151 -27.393 12.209 1.00 64.12 C ATOM 352 O THR A 24 4.684 -26.562 11.464 1.00 23.12 O ATOM 353 CB THR A 24 1.819 -27.613 13.172 1.00 73.21 C ATOM 354 OG1 THR A 24 1.925 -29.032 13.355 1.00 0.00 O ATOM 355 CG2 THR A 24 1.209 -27.318 11.808 1.00 12.52 C ATOM 0 H THR A 24 2.226 -25.147 12.863 1.00 45.31 H new ATOM 0 HA THR A 24 3.617 -27.235 14.289 1.00 75.32 H new ATOM 0 HB THR A 24 1.166 -27.201 13.942 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.040 -29.442 13.256 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.238 -27.806 11.730 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.084 -26.242 11.690 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.868 -27.695 11.026 1.00 12.52 H new ATOM 363 N ARG A 25 4.358 -28.704 12.093 1.00 3.14 N ATOM 364 CA ARG A 25 5.282 -29.255 11.104 1.00 73.32 C ATOM 365 C ARG A 25 4.767 -29.047 9.680 1.00 50.00 C ATOM 366 O ARG A 25 3.745 -28.390 9.469 1.00 5.42 O ATOM 367 CB ARG A 25 5.503 -30.745 11.361 1.00 33.05 C ATOM 368 CG ARG A 25 6.149 -31.052 12.702 1.00 24.32 C ATOM 369 CD ARG A 25 6.356 -32.545 12.878 1.00 10.33 C ATOM 370 NE ARG A 25 6.992 -32.872 14.149 1.00 33.14 N ATOM 371 CZ ARG A 25 7.277 -34.114 14.531 1.00 2.41 C ATOM 372 NH1 ARG A 25 6.982 -35.138 13.736 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 7.859 -34.331 15.702 1.00 62.54 N ATOM 0 H ARG A 25 3.897 -29.405 12.673 1.00 3.14 H new ATOM 0 HA ARG A 25 6.229 -28.724 11.204 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.543 -31.259 11.305 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.129 -31.151 10.566 1.00 33.05 H new ATOM 0 HG2 ARG A 25 7.107 -30.538 12.774 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.521 -30.671 13.508 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.393 -33.052 12.815 1.00 10.33 H new ATOM 0 HD3 ARG A 25 6.969 -32.923 12.060 1.00 10.33 H new ATOM 0 HE ARG A 25 7.231 -32.107 14.779 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.537 -34.971 12.833 1.00 13.30 H new ATOM 0 HH12 ARG A 25 7.200 -36.090 14.029 1.00 13.30 H new ATOM 0 HH21 ARG A 25 8.089 -33.545 16.311 1.00 62.54 H new ATOM 0 HH22 ARG A 25 8.077 -35.284 15.994 1.00 62.54 H new ATOM 387 N ASP A 26 5.467 -29.648 8.715 1.00 11.55 N ATOM 388 CA ASP A 26 5.230 -29.428 7.276 1.00 13.41 C ATOM 389 C ASP A 26 5.619 -28.012 6.872 1.00 2.54 C ATOM 390 O ASP A 26 6.232 -27.802 5.833 1.00 54.04 O ATOM 391 CB ASP A 26 3.779 -29.701 6.867 1.00 51.21 C ATOM 392 CG ASP A 26 3.532 -29.390 5.399 1.00 14.41 C ATOM 393 OD1 ASP A 26 4.090 -30.103 4.530 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.774 -28.441 5.104 1.00 15.44 O1- ATOM 0 H ASP A 26 6.221 -30.307 8.906 1.00 11.55 H new ATOM 0 HA ASP A 26 5.861 -30.144 6.749 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.538 -30.746 7.062 1.00 51.21 H new ATOM 0 HB3 ASP A 26 3.110 -29.100 7.482 1.00 51.21 H new ATOM 399 N GLN A 27 5.256 -27.047 7.697 1.00 2.23 N ATOM 400 CA GLN A 27 5.621 -25.660 7.477 1.00 4.51 C ATOM 401 C GLN A 27 7.105 -25.443 7.740 1.00 2.23 C ATOM 402 O GLN A 27 7.826 -26.388 8.054 1.00 21.25 O ATOM 403 CB GLN A 27 4.780 -24.758 8.375 1.00 41.02 C ATOM 404 CG GLN A 27 3.314 -24.719 7.978 1.00 12.33 C ATOM 405 CD GLN A 27 2.435 -24.038 9.005 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.762 -24.205 10.277 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.451 -23.383 8.658 1.00 42.30 N flip ATOM 0 H GLN A 27 4.700 -27.203 8.538 1.00 2.23 H new ATOM 0 HA GLN A 27 5.425 -25.407 6.435 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.862 -25.104 9.405 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.185 -23.747 8.345 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.216 -24.200 7.025 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.959 -25.738 7.824 1.00 12.33 H new ATOM 0 HE21 GLN A 27 1.232 -23.277 7.667 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.855 -22.946 9.361 1.00 42.30 H new ATOM 416 N VAL A 28 7.543 -24.190 7.575 1.00 40.51 N ATOM 417 CA VAL A 28 8.948 -23.763 7.748 1.00 21.23 C ATOM 418 C VAL A 28 9.908 -24.536 6.838 1.00 20.45 C ATOM 419 O VAL A 28 11.127 -24.415 6.955 1.00 35.23 O ATOM 420 CB VAL A 28 9.437 -23.813 9.228 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.380 -23.242 10.163 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.855 -25.213 9.668 1.00 12.44 C ATOM 0 H VAL A 28 6.923 -23.424 7.312 1.00 40.51 H new ATOM 0 HA VAL A 28 8.961 -22.716 7.446 1.00 21.23 H new ATOM 0 HB VAL A 28 10.331 -23.192 9.285 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.741 -23.286 11.191 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.178 -22.205 9.894 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.463 -23.825 10.075 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.186 -25.185 10.706 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.007 -25.892 9.576 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.671 -25.564 9.037 1.00 12.44 H new ATOM 432 N LYS A 29 9.351 -25.304 5.905 1.00 1.44 N ATOM 433 CA LYS A 29 10.153 -26.007 4.913 1.00 53.22 C ATOM 434 C LYS A 29 10.498 -25.068 3.766 1.00 71.12 C ATOM 435 O LYS A 29 11.415 -25.323 2.985 1.00 33.02 O ATOM 436 CB LYS A 29 9.404 -27.237 4.382 1.00 54.41 C ATOM 437 CG LYS A 29 8.145 -26.909 3.590 1.00 70.52 C ATOM 438 CD LYS A 29 7.418 -28.175 3.165 1.00 33.02 C ATOM 439 CE LYS A 29 6.096 -27.866 2.482 1.00 11.13 C ATOM 440 NZ LYS A 29 5.300 -29.100 2.248 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.346 -25.454 5.817 1.00 1.44 H new ATOM 0 HA LYS A 29 11.074 -26.345 5.388 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.078 -27.813 3.748 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.134 -27.875 5.223 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.482 -26.291 4.196 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.409 -26.324 2.709 1.00 70.52 H new ATOM 0 HD2 LYS A 29 8.052 -28.748 2.488 1.00 33.02 H new ATOM 0 HD3 LYS A 29 7.238 -28.801 4.039 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.522 -27.173 3.096 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.285 -27.368 1.531 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 4.529 -28.895 1.581 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 5.914 -29.839 1.850 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 4.899 -29.431 3.149 1.00 21.55 H new ATOM 454 N ALA A 30 9.744 -23.979 3.684 1.00 52.32 N ATOM 455 CA ALA A 30 9.946 -22.967 2.663 1.00 14.13 C ATOM 456 C ALA A 30 9.265 -21.666 3.070 1.00 61.32 C ATOM 457 O ALA A 30 8.064 -21.483 2.856 1.00 75.11 O ATOM 458 CB ALA A 30 9.426 -23.441 1.314 1.00 4.23 C ATOM 0 H ALA A 30 8.977 -23.775 4.324 1.00 52.32 H new ATOM 0 HA ALA A 30 11.017 -22.788 2.566 1.00 14.13 H new ATOM 0 HB1 ALA A 30 9.590 -22.664 0.567 1.00 4.23 H new ATOM 0 HB2 ALA A 30 9.956 -24.346 1.018 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.359 -23.653 1.389 1.00 4.23 H new ATOM 464 N ILE A 31 10.036 -20.787 3.688 1.00 25.12 N ATOM 465 CA ILE A 31 9.544 -19.486 4.117 1.00 40.14 C ATOM 466 C ILE A 31 10.519 -18.407 3.677 1.00 74.23 C ATOM 467 O ILE A 31 11.727 -18.526 3.897 1.00 4.24 O ATOM 468 CB ILE A 31 9.348 -19.411 5.653 1.00 34.44 C ATOM 469 CG1 ILE A 31 8.279 -20.411 6.105 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.959 -18.000 6.077 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.998 -20.374 7.594 1.00 3.32 C ATOM 0 H ILE A 31 11.018 -20.953 3.907 1.00 25.12 H new ATOM 0 HA ILE A 31 8.570 -19.332 3.653 1.00 40.14 H new ATOM 0 HB ILE A 31 10.293 -19.668 6.131 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.354 -20.209 5.565 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.596 -21.417 5.829 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.826 -17.969 7.158 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.746 -17.303 5.788 1.00 41.23 H new ATOM 0 HG23 ILE A 31 8.026 -17.717 5.589 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.231 -21.109 7.838 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.911 -20.606 8.142 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.650 -19.380 7.874 1.00 3.32 H new ATOM 483 N ASN A 32 10.000 -17.369 3.045 1.00 72.34 N ATOM 484 CA ASN A 32 10.842 -16.319 2.501 1.00 15.12 C ATOM 485 C ASN A 32 11.078 -15.216 3.521 1.00 73.04 C ATOM 486 O ASN A 32 12.223 -14.843 3.781 1.00 13.03 O ATOM 487 CB ASN A 32 10.223 -15.733 1.230 1.00 71.30 C ATOM 488 CG ASN A 32 10.129 -16.748 0.109 1.00 3.15 C ATOM 489 OD1 ASN A 32 9.128 -17.452 -0.026 1.00 51.12 O ATOM 490 ND2 ASN A 32 11.167 -16.826 -0.711 1.00 22.03 N ATOM 0 H ASN A 32 9.000 -17.231 2.896 1.00 72.34 H new ATOM 0 HA ASN A 32 11.804 -16.766 2.252 1.00 15.12 H new ATOM 0 HB2 ASN A 32 9.227 -15.354 1.457 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.820 -14.884 0.898 1.00 71.30 H new ATOM 0 HD21 ASN A 32 11.155 -17.487 -1.488 1.00 22.03 H new ATOM 0 HD22 ASN A 32 11.978 -16.225 -0.565 1.00 22.03 H new ATOM 497 N PHE A 33 10.004 -14.694 4.101 1.00 4.32 N ATOM 498 CA PHE A 33 10.119 -13.565 5.013 1.00 60.13 C ATOM 499 C PHE A 33 9.288 -13.760 6.276 1.00 71.25 C ATOM 500 O PHE A 33 8.114 -14.130 6.219 1.00 43.02 O ATOM 501 CB PHE A 33 9.683 -12.269 4.321 1.00 25.12 C ATOM 502 CG PHE A 33 10.518 -11.896 3.128 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.046 -12.103 1.843 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.774 -11.337 3.297 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.811 -11.759 0.745 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.545 -10.992 2.204 1.00 62.54 C ATOM 507 CZ PHE A 33 12.063 -11.204 0.926 1.00 65.33 C ATOM 0 H PHE A 33 9.052 -15.031 3.957 1.00 4.32 H new ATOM 0 HA PHE A 33 11.168 -13.498 5.301 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.644 -12.370 4.006 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.719 -11.454 5.044 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.068 -12.538 1.697 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.154 -11.169 4.294 1.00 1.10 H new ATOM 0 HE1 PHE A 33 10.431 -11.924 -0.252 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.523 -10.557 2.348 1.00 62.54 H new ATOM 0 HZ PHE A 33 12.665 -10.936 0.070 1.00 65.33 H new ATOM 517 N LEU A 34 9.917 -13.523 7.414 1.00 45.21 N ATOM 518 CA LEU A 34 9.219 -13.416 8.684 1.00 44.33 C ATOM 519 C LEU A 34 9.002 -11.937 8.975 1.00 61.32 C ATOM 520 O LEU A 34 9.968 -11.189 9.104 1.00 5.11 O ATOM 521 CB LEU A 34 10.023 -14.064 9.823 1.00 2.10 C ATOM 522 CG LEU A 34 10.097 -15.600 9.820 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.708 -16.205 9.707 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.000 -16.115 8.706 1.00 73.11 C ATOM 0 H LEU A 34 10.927 -13.399 7.484 1.00 45.21 H new ATOM 0 HA LEU A 34 8.267 -13.943 8.620 1.00 44.33 H new ATOM 0 HB2 LEU A 34 11.040 -13.673 9.789 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.590 -13.745 10.771 1.00 2.10 H new ATOM 0 HG LEU A 34 10.534 -15.910 10.769 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.784 -17.292 9.707 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.101 -15.884 10.554 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.241 -15.874 8.779 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.028 -17.204 8.735 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.611 -15.787 7.742 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.007 -15.722 8.843 1.00 73.11 H new ATOM 536 N PRO A 35 7.738 -11.494 9.058 1.00 32.22 N ATOM 537 CA PRO A 35 7.390 -10.070 9.189 1.00 5.03 C ATOM 538 C PRO A 35 8.041 -9.395 10.397 1.00 10.23 C ATOM 539 O PRO A 35 8.257 -10.030 11.436 1.00 63.24 O ATOM 540 CB PRO A 35 5.863 -10.076 9.346 1.00 22.10 C ATOM 541 CG PRO A 35 5.506 -11.483 9.691 1.00 24.21 C ATOM 542 CD PRO A 35 6.541 -12.345 9.032 1.00 34.40 C ATOM 0 HA PRO A 35 7.746 -9.503 8.329 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.546 -9.387 10.129 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.372 -9.760 8.425 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.504 -11.632 10.771 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.507 -11.731 9.334 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.696 -13.278 9.575 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.257 -12.612 8.014 1.00 34.40 H new ATOM 550 N VAL A 36 8.358 -8.106 10.242 1.00 60.55 N ATOM 551 CA VAL A 36 8.930 -7.301 11.321 1.00 53.33 C ATOM 552 C VAL A 36 7.933 -7.152 12.475 1.00 1.10 C ATOM 553 O VAL A 36 7.180 -6.177 12.564 1.00 72.31 O ATOM 554 CB VAL A 36 9.401 -5.910 10.808 1.00 4.21 C ATOM 555 CG1 VAL A 36 8.292 -5.190 10.044 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.915 -5.045 11.953 1.00 25.11 C ATOM 0 H VAL A 36 8.226 -7.595 9.369 1.00 60.55 H new ATOM 0 HA VAL A 36 9.809 -7.826 11.695 1.00 53.33 H new ATOM 0 HB VAL A 36 10.225 -6.083 10.116 1.00 4.21 H new ATOM 0 HG11 VAL A 36 8.656 -4.222 9.700 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.993 -5.791 9.185 1.00 64.12 H new ATOM 0 HG13 VAL A 36 7.434 -5.043 10.700 1.00 64.12 H new ATOM 0 HG21 VAL A 36 10.237 -4.079 11.563 1.00 25.11 H new ATOM 0 HG22 VAL A 36 9.118 -4.895 12.682 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.758 -5.541 12.434 1.00 25.11 H new ATOM 566 N ASP A 37 7.928 -8.162 13.333 1.00 75.53 N ATOM 567 CA ASP A 37 7.008 -8.260 14.460 1.00 0.24 C ATOM 568 C ASP A 37 7.093 -9.657 15.045 1.00 61.43 C ATOM 569 O ASP A 37 6.964 -9.852 16.253 1.00 74.15 O ATOM 570 CB ASP A 37 5.561 -7.980 14.032 1.00 1.03 C ATOM 571 CG ASP A 37 4.557 -8.261 15.132 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.693 -9.141 14.939 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.617 -7.595 16.187 1.00 24.30 O1- ATOM 0 H ASP A 37 8.573 -8.949 13.266 1.00 75.53 H new ATOM 0 HA ASP A 37 7.293 -7.513 15.201 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.473 -6.938 13.724 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.320 -8.591 13.162 1.00 1.03 H new ATOM 578 N TYR A 38 7.332 -10.625 14.170 1.00 64.13 N ATOM 579 CA TYR A 38 7.382 -12.020 14.570 1.00 64.04 C ATOM 580 C TYR A 38 8.590 -12.280 15.462 1.00 13.41 C ATOM 581 O TYR A 38 9.675 -11.733 15.242 1.00 72.14 O ATOM 582 CB TYR A 38 7.425 -12.927 13.339 1.00 31.23 C ATOM 583 CG TYR A 38 6.958 -14.338 13.618 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.841 -15.315 14.061 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.625 -14.690 13.449 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.408 -16.600 14.326 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.187 -15.972 13.710 1.00 74.11 C ATOM 588 CZ TYR A 38 6.078 -16.920 14.149 1.00 52.12 C ATOM 589 OH TYR A 38 5.638 -18.197 14.413 1.00 52.04 O ATOM 0 H TYR A 38 7.494 -10.466 13.176 1.00 64.13 H new ATOM 0 HA TYR A 38 6.480 -12.246 15.138 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.803 -12.494 12.556 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.445 -12.959 12.955 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.883 -15.066 14.200 1.00 63.21 H new ATOM 0 HD2 TYR A 38 4.919 -13.947 13.107 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.106 -17.349 14.669 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.147 -16.229 13.570 1.00 74.11 H new ATOM 0 HH TYR A 38 4.675 -18.254 14.238 1.00 52.04 H new ATOM 599 N GLU A 39 8.386 -13.113 16.470 1.00 24.42 N ATOM 600 CA GLU A 39 9.418 -13.415 17.447 1.00 12.31 C ATOM 601 C GLU A 39 9.633 -14.919 17.532 1.00 14.54 C ATOM 602 O GLU A 39 8.675 -15.692 17.449 1.00 3.41 O ATOM 603 CB GLU A 39 9.000 -12.877 18.814 1.00 45.13 C ATOM 604 CG GLU A 39 8.588 -11.415 18.790 1.00 72.52 C ATOM 605 CD GLU A 39 7.620 -11.077 19.899 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.515 -11.654 19.914 1.00 5.53 O ATOM 607 OE2 GLU A 39 7.949 -10.230 20.753 1.00 51.15 O1- ATOM 0 H GLU A 39 7.503 -13.597 16.633 1.00 24.42 H new ATOM 0 HA GLU A 39 10.350 -12.941 17.139 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.170 -13.474 19.192 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.827 -13.002 19.513 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.475 -10.788 18.880 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.131 -11.184 17.828 1.00 72.52 H new ATOM 614 N ILE A 40 10.880 -15.333 17.695 1.00 4.54 N ATOM 615 CA ILE A 40 11.206 -16.751 17.817 1.00 42.33 C ATOM 616 C ILE A 40 12.108 -16.995 19.023 1.00 75.11 C ATOM 617 O ILE A 40 12.629 -16.049 19.623 1.00 0.45 O ATOM 618 CB ILE A 40 11.903 -17.302 16.552 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.183 -16.515 16.268 1.00 63.20 C ATOM 620 CG2 ILE A 40 10.965 -17.250 15.353 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.028 -17.091 15.153 1.00 11.34 C ATOM 0 H ILE A 40 11.685 -14.709 17.746 1.00 4.54 H new ATOM 0 HA ILE A 40 10.260 -17.277 17.946 1.00 42.33 H new ATOM 0 HB ILE A 40 12.167 -18.344 16.730 1.00 22.13 H new ATOM 0 HG12 ILE A 40 12.917 -15.489 16.015 1.00 63.20 H new ATOM 0 HG13 ILE A 40 13.781 -16.474 17.178 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.476 -17.642 14.474 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.080 -17.852 15.557 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.667 -16.218 15.169 1.00 63.11 H new ATOM 0 HD11 ILE A 40 14.917 -16.475 15.015 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.327 -18.107 15.411 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.450 -17.106 14.229 1.00 11.34 H new ATOM 633 N GLU A 41 12.294 -18.262 19.368 1.00 61.12 N ATOM 634 CA GLU A 41 13.110 -18.627 20.514 1.00 13.03 C ATOM 635 C GLU A 41 14.159 -19.671 20.129 1.00 60.15 C ATOM 636 O GLU A 41 13.883 -20.593 19.360 1.00 54.15 O ATOM 637 CB GLU A 41 12.219 -19.158 21.642 1.00 74.33 C ATOM 638 CG GLU A 41 12.985 -19.508 22.906 1.00 15.40 C ATOM 639 CD GLU A 41 12.084 -19.935 24.048 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.626 -19.057 24.807 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.865 -21.153 24.214 1.00 65.45 O1- ATOM 0 H GLU A 41 11.889 -19.054 18.869 1.00 61.12 H new ATOM 0 HA GLU A 41 13.633 -17.736 20.862 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.463 -18.409 21.880 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.690 -20.044 21.290 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.689 -20.311 22.687 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.573 -18.645 23.218 1.00 15.40 H new ATOM 648 N TYR A 42 15.365 -19.501 20.660 1.00 75.13 N ATOM 649 CA TYR A 42 16.450 -20.457 20.455 1.00 70.02 C ATOM 650 C TYR A 42 16.339 -21.605 21.449 1.00 70.13 C ATOM 651 O TYR A 42 16.666 -21.450 22.624 1.00 31.24 O ATOM 652 CB TYR A 42 17.818 -19.784 20.605 1.00 71.13 C ATOM 653 CG TYR A 42 18.293 -19.029 19.379 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.645 -18.760 19.196 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.401 -18.589 18.410 1.00 74.53 C ATOM 656 CE1 TYR A 42 20.092 -18.070 18.086 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.842 -17.901 17.296 1.00 60.14 C ATOM 658 CZ TYR A 42 19.186 -17.643 17.138 1.00 71.20 C ATOM 659 OH TYR A 42 19.626 -16.943 16.036 1.00 33.12 O ATOM 0 H TYR A 42 15.618 -18.702 21.241 1.00 75.13 H new ATOM 0 HA TYR A 42 16.362 -20.844 19.440 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.777 -19.093 21.447 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.557 -20.546 20.854 1.00 71.13 H new ATOM 0 HD1 TYR A 42 20.358 -19.096 19.934 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.346 -18.788 18.529 1.00 74.53 H new ATOM 0 HE1 TYR A 42 21.145 -17.866 17.961 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.135 -17.566 16.551 1.00 60.14 H new ATOM 0 HH TYR A 42 18.862 -16.717 15.465 1.00 33.12 H new ATOM 669 N VAL A 43 15.846 -22.738 20.984 1.00 14.33 N ATOM 670 CA VAL A 43 15.661 -23.897 21.842 1.00 13.01 C ATOM 671 C VAL A 43 16.682 -24.985 21.516 1.00 43.53 C ATOM 672 O VAL A 43 17.422 -24.884 20.540 1.00 23.35 O ATOM 673 CB VAL A 43 14.235 -24.478 21.715 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.197 -23.445 22.124 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.969 -24.965 20.297 1.00 10.23 C ATOM 0 H VAL A 43 15.565 -22.882 20.014 1.00 14.33 H new ATOM 0 HA VAL A 43 15.808 -23.560 22.868 1.00 13.01 H new ATOM 0 HB VAL A 43 14.159 -25.332 22.388 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.199 -23.874 22.027 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.366 -23.149 23.159 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.280 -22.570 21.479 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.959 -25.369 20.235 1.00 10.23 H new ATOM 0 HG22 VAL A 43 14.070 -24.132 19.601 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.688 -25.743 20.039 1.00 10.23 H new ATOM 685 N CYS A 44 16.734 -26.007 22.348 1.00 44.41 N ATOM 686 CA CYS A 44 17.586 -27.154 22.089 1.00 33.42 C ATOM 687 C CYS A 44 16.722 -28.341 21.741 1.00 23.24 C ATOM 688 O CYS A 44 15.618 -28.501 22.263 1.00 51.42 O ATOM 689 CB CYS A 44 18.485 -27.450 23.293 1.00 2.24 C ATOM 690 SG CYS A 44 19.889 -28.557 22.929 1.00 3.51 S ATOM 0 H CYS A 44 16.195 -26.067 23.212 1.00 44.41 H new ATOM 0 HA CYS A 44 18.243 -26.936 21.247 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.872 -26.508 23.683 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.880 -27.897 24.082 1.00 2.24 H new ATOM 695 N ARG A 45 17.220 -29.142 20.825 1.00 62.05 N ATOM 696 CA ARG A 45 16.461 -30.232 20.270 1.00 5.01 C ATOM 697 C ARG A 45 16.421 -31.409 21.243 1.00 54.03 C ATOM 698 O ARG A 45 17.440 -31.785 21.821 1.00 24.32 O ATOM 699 CB ARG A 45 17.078 -30.634 18.936 1.00 71.44 C ATOM 700 CG ARG A 45 16.392 -31.810 18.302 1.00 42.32 C ATOM 701 CD ARG A 45 17.078 -32.227 17.012 1.00 12.32 C ATOM 702 NE ARG A 45 16.383 -33.329 16.348 1.00 32.41 N ATOM 703 CZ ARG A 45 16.876 -34.005 15.310 1.00 70.05 C ATOM 704 NH1 ARG A 45 18.066 -33.693 14.811 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.166 -34.986 14.765 1.00 35.41 N ATOM 0 H ARG A 45 18.163 -29.053 20.446 1.00 62.05 H new ATOM 0 HA ARG A 45 15.431 -29.917 20.103 1.00 5.01 H new ATOM 0 HB2 ARG A 45 17.038 -29.785 18.253 1.00 71.44 H new ATOM 0 HB3 ARG A 45 18.131 -30.872 19.086 1.00 71.44 H new ATOM 0 HG2 ARG A 45 16.386 -32.648 18.999 1.00 42.32 H new ATOM 0 HG3 ARG A 45 15.351 -31.558 18.097 1.00 42.32 H new ATOM 0 HD2 ARG A 45 17.129 -31.373 16.337 1.00 12.32 H new ATOM 0 HD3 ARG A 45 18.104 -32.524 17.228 1.00 12.32 H new ATOM 0 HE ARG A 45 15.464 -33.597 16.701 1.00 32.41 H new ATOM 0 HH11 ARG A 45 18.608 -32.933 15.222 1.00 54.35 H new ATOM 0 HH12 ARG A 45 18.438 -34.214 14.017 1.00 54.35 H new ATOM 0 HH21 ARG A 45 15.247 -35.220 15.141 1.00 35.41 H new ATOM 0 HH22 ARG A 45 16.540 -35.506 13.971 1.00 35.41 H new ATOM 719 N GLY A 46 15.232 -31.966 21.433 1.00 62.21 N ATOM 720 CA GLY A 46 15.070 -33.071 22.353 1.00 35.13 C ATOM 721 C GLY A 46 14.512 -32.614 23.683 1.00 50.42 C ATOM 722 O GLY A 46 13.770 -31.635 23.749 1.00 24.32 O ATOM 0 H GLY A 46 14.376 -31.670 20.964 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.404 -33.815 21.915 1.00 35.13 H new ATOM 0 HA3 GLY A 46 16.032 -33.558 22.510 1.00 35.13 H new ATOM 726 N GLU A 47 14.876 -33.315 24.743 1.00 62.41 N ATOM 727 CA GLU A 47 14.463 -32.937 26.090 1.00 21.42 C ATOM 728 C GLU A 47 15.536 -32.067 26.729 1.00 12.53 C ATOM 729 O GLU A 47 15.556 -31.860 27.946 1.00 4.41 O ATOM 730 CB GLU A 47 14.175 -34.171 26.965 1.00 22.13 C ATOM 731 CG GLU A 47 15.289 -35.211 26.989 1.00 11.01 C ATOM 732 CD GLU A 47 15.355 -36.025 25.715 1.00 54.23 C ATOM 733 OE1 GLU A 47 16.181 -35.699 24.838 1.00 31.03 O ATOM 734 OE2 GLU A 47 14.570 -36.982 25.575 1.00 71.43 O1- ATOM 0 H GLU A 47 15.458 -34.151 24.700 1.00 62.41 H new ATOM 0 HA GLU A 47 13.535 -32.371 26.015 1.00 21.42 H new ATOM 0 HB2 GLU A 47 13.985 -33.839 27.986 1.00 22.13 H new ATOM 0 HB3 GLU A 47 13.261 -34.646 26.609 1.00 22.13 H new ATOM 0 HG2 GLU A 47 16.245 -34.710 27.145 1.00 11.01 H new ATOM 0 HG3 GLU A 47 15.137 -35.880 27.836 1.00 11.01 H new ATOM 741 N ARG A 48 16.423 -31.554 25.890 1.00 3.22 N ATOM 742 CA ARG A 48 17.483 -30.671 26.337 1.00 11.31 C ATOM 743 C ARG A 48 16.985 -29.232 26.298 1.00 51.34 C ATOM 744 O ARG A 48 16.605 -28.731 25.242 1.00 74.21 O ATOM 745 CB ARG A 48 18.716 -30.804 25.431 1.00 14.32 C ATOM 746 CG ARG A 48 19.078 -32.237 25.060 1.00 42.31 C ATOM 747 CD ARG A 48 19.478 -33.068 26.273 1.00 42.54 C ATOM 748 NE ARG A 48 20.666 -32.544 26.951 1.00 62.44 N ATOM 749 CZ ARG A 48 21.916 -32.671 26.496 1.00 10.24 C ATOM 750 NH1 ARG A 48 22.154 -33.263 25.328 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 22.926 -32.204 27.220 1.00 20.12 N ATOM 0 H ARG A 48 16.427 -31.738 24.887 1.00 3.22 H new ATOM 0 HA ARG A 48 17.764 -30.945 27.354 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.541 -30.239 24.516 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.569 -30.345 25.931 1.00 14.32 H new ATOM 0 HG2 ARG A 48 18.228 -32.707 24.565 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.899 -32.227 24.343 1.00 42.31 H new ATOM 0 HD2 ARG A 48 18.647 -33.099 26.977 1.00 42.54 H new ATOM 0 HD3 ARG A 48 19.667 -34.094 25.959 1.00 42.54 H new ATOM 0 HE ARG A 48 20.530 -32.048 27.832 1.00 62.44 H new ATOM 0 HH11 ARG A 48 21.379 -33.624 24.772 1.00 25.54 H new ATOM 0 HH12 ARG A 48 23.112 -33.355 24.989 1.00 25.54 H new ATOM 0 HH21 ARG A 48 22.745 -31.752 28.116 1.00 20.12 H new ATOM 0 HH22 ARG A 48 23.883 -32.297 26.880 1.00 20.12 H new ATOM 765 N GLU A 49 16.960 -28.576 27.442 1.00 44.11 N ATOM 766 CA GLU A 49 16.539 -27.187 27.499 1.00 30.02 C ATOM 767 C GLU A 49 17.753 -26.274 27.456 1.00 63.13 C ATOM 768 O GLU A 49 18.888 -26.743 27.510 1.00 72.31 O ATOM 769 CB GLU A 49 15.697 -26.924 28.746 1.00 5.24 C ATOM 770 CG GLU A 49 14.433 -27.764 28.797 1.00 21.11 C ATOM 771 CD GLU A 49 13.524 -27.377 29.942 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.904 -27.598 31.109 1.00 50.41 O ATOM 773 OE2 GLU A 49 12.420 -26.855 29.680 1.00 41.04 O1- ATOM 0 H GLU A 49 17.225 -28.979 28.341 1.00 44.11 H new ATOM 0 HA GLU A 49 15.916 -26.974 26.630 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.298 -27.127 29.633 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.427 -25.869 28.779 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.892 -27.658 27.857 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.703 -28.816 28.892 1.00 21.11 H new ATOM 780 N VAL A 50 17.514 -24.981 27.323 1.00 34.14 N ATOM 781 CA VAL A 50 18.599 -24.018 27.218 1.00 54.31 C ATOM 782 C VAL A 50 18.417 -22.864 28.190 1.00 4.42 C ATOM 783 O VAL A 50 17.368 -22.220 28.219 1.00 41.03 O ATOM 784 CB VAL A 50 18.719 -23.439 25.789 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.333 -24.448 24.836 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.363 -22.992 25.269 1.00 31.42 C ATOM 0 H VAL A 50 16.580 -24.573 27.285 1.00 34.14 H new ATOM 0 HA VAL A 50 19.510 -24.563 27.463 1.00 54.31 H new ATOM 0 HB VAL A 50 19.377 -22.572 25.843 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.404 -24.011 23.840 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.329 -24.719 25.185 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.707 -25.340 24.797 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.474 -22.589 24.262 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.683 -23.844 25.246 1.00 31.42 H new ATOM 0 HG23 VAL A 50 16.957 -22.222 25.926 1.00 31.42 H new ATOM 796 N VAL A 51 19.434 -22.611 28.998 1.00 23.20 N ATOM 797 CA VAL A 51 19.478 -21.385 29.770 1.00 2.24 C ATOM 798 C VAL A 51 20.328 -20.366 29.012 1.00 12.52 C ATOM 799 O VAL A 51 21.557 -20.374 29.069 1.00 73.23 O ATOM 800 CB VAL A 51 20.018 -21.619 31.208 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.348 -22.362 31.193 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.138 -20.299 31.961 1.00 4.13 C ATOM 0 H VAL A 51 20.231 -23.233 29.134 1.00 23.20 H new ATOM 0 HA VAL A 51 18.464 -21.002 29.890 1.00 2.24 H new ATOM 0 HB VAL A 51 19.299 -22.248 31.733 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.695 -22.508 32.216 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.218 -23.332 30.712 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.084 -21.779 30.640 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.518 -20.486 32.965 1.00 4.13 H new ATOM 0 HG22 VAL A 51 20.824 -19.639 31.431 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.158 -19.827 32.026 1.00 4.13 H new ATOM 812 N GLY A 52 19.654 -19.518 28.254 1.00 43.00 N ATOM 813 CA GLY A 52 20.343 -18.589 27.385 1.00 12.21 C ATOM 814 C GLY A 52 19.523 -17.355 27.092 1.00 21.54 C ATOM 815 O GLY A 52 18.347 -17.294 27.461 1.00 21.14 O ATOM 0 H GLY A 52 18.636 -19.456 28.225 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.285 -18.294 27.847 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.590 -19.088 26.448 1.00 12.21 H new ATOM 819 N PRO A 53 20.115 -16.357 26.420 1.00 41.45 N ATOM 820 CA PRO A 53 19.394 -15.174 25.952 1.00 13.20 C ATOM 821 C PRO A 53 18.544 -15.508 24.727 1.00 34.33 C ATOM 822 O PRO A 53 18.632 -14.853 23.687 1.00 53.40 O ATOM 823 CB PRO A 53 20.502 -14.175 25.578 1.00 30.31 C ATOM 824 CG PRO A 53 21.808 -14.848 25.863 1.00 70.42 C ATOM 825 CD PRO A 53 21.533 -16.314 26.046 1.00 22.42 C ATOM 0 HA PRO A 53 18.711 -14.781 26.705 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.432 -13.897 24.526 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.406 -13.257 26.158 1.00 30.31 H new ATOM 0 HG2 PRO A 53 22.508 -14.689 25.042 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.267 -14.430 26.759 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.723 -16.875 25.131 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.165 -16.746 26.822 1.00 22.42 H new ATOM 833 N LYS A 54 17.720 -16.538 24.867 1.00 53.33 N ATOM 834 CA LYS A 54 16.934 -17.064 23.762 1.00 53.43 C ATOM 835 C LYS A 54 15.794 -16.124 23.377 1.00 54.24 C ATOM 836 O LYS A 54 14.687 -16.213 23.907 1.00 72.35 O ATOM 837 CB LYS A 54 16.392 -18.456 24.115 1.00 14.34 C ATOM 838 CG LYS A 54 15.708 -18.525 25.477 1.00 2.25 C ATOM 839 CD LYS A 54 15.113 -19.899 25.736 1.00 62.01 C ATOM 840 CE LYS A 54 14.316 -19.939 27.033 1.00 22.54 C ATOM 841 NZ LYS A 54 13.143 -19.019 27.005 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.579 -17.031 25.749 1.00 53.33 H new ATOM 0 HA LYS A 54 17.591 -17.147 22.896 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.683 -18.765 23.347 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.214 -19.171 24.095 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.429 -18.287 26.259 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.922 -17.772 25.528 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.466 -20.177 24.904 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.913 -20.638 25.779 1.00 62.01 H new ATOM 0 HE2 LYS A 54 13.972 -20.957 27.214 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.967 -19.670 27.865 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.356 -19.444 27.535 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.403 -18.111 27.440 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 12.851 -18.859 26.020 1.00 20.32 H new ATOM 855 N VAL A 55 16.084 -15.209 22.464 1.00 2.14 N ATOM 856 CA VAL A 55 15.079 -14.295 21.948 1.00 11.43 C ATOM 857 C VAL A 55 15.529 -13.699 20.616 1.00 43.22 C ATOM 858 O VAL A 55 16.675 -13.272 20.463 1.00 65.24 O ATOM 859 CB VAL A 55 14.759 -13.163 22.962 1.00 34.24 C ATOM 860 CG1 VAL A 55 16.007 -12.360 23.313 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.668 -12.246 22.426 1.00 74.12 C ATOM 0 H VAL A 55 17.013 -15.080 22.064 1.00 2.14 H new ATOM 0 HA VAL A 55 14.166 -14.869 21.789 1.00 11.43 H new ATOM 0 HB VAL A 55 14.396 -13.634 23.875 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.747 -11.576 24.025 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.752 -13.021 23.757 1.00 71.14 H new ATOM 0 HG13 VAL A 55 16.415 -11.908 22.409 1.00 71.14 H new ATOM 0 HG21 VAL A 55 13.462 -11.462 23.154 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.999 -11.795 21.491 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.761 -12.824 22.249 1.00 74.12 H new ATOM 871 N ARG A 56 14.633 -13.719 19.640 1.00 3.44 N ATOM 872 CA ARG A 56 14.895 -13.125 18.340 1.00 30.34 C ATOM 873 C ARG A 56 13.670 -12.379 17.849 1.00 34.22 C ATOM 874 O ARG A 56 12.575 -12.939 17.807 1.00 45.24 O ATOM 875 CB ARG A 56 15.272 -14.192 17.313 1.00 31.13 C ATOM 876 CG ARG A 56 16.618 -14.843 17.549 1.00 60.22 C ATOM 877 CD ARG A 56 17.738 -13.827 17.470 1.00 12.52 C ATOM 878 NE ARG A 56 19.049 -14.445 17.603 1.00 73.32 N ATOM 879 CZ ARG A 56 19.872 -14.214 18.624 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.450 -13.520 19.674 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.100 -14.711 18.612 1.00 53.04 N ATOM 0 H ARG A 56 13.710 -14.145 19.727 1.00 3.44 H new ATOM 0 HA ARG A 56 15.730 -12.433 18.454 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.504 -14.965 17.313 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.270 -13.740 16.321 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.627 -15.322 18.528 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.781 -15.626 16.809 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.682 -13.299 16.518 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.607 -13.082 18.255 1.00 12.52 H new ATOM 0 HE ARG A 56 19.354 -15.090 16.874 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.495 -13.163 19.699 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.081 -13.343 20.456 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.416 -15.271 17.820 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.730 -14.533 19.395 1.00 53.04 H new ATOM 895 N LYS A 57 13.853 -11.122 17.491 1.00 33.31 N ATOM 896 CA LYS A 57 12.784 -10.335 16.908 1.00 4.11 C ATOM 897 C LYS A 57 13.254 -9.771 15.575 1.00 15.33 C ATOM 898 O LYS A 57 14.402 -9.343 15.450 1.00 3.22 O ATOM 899 CB LYS A 57 12.364 -9.214 17.863 1.00 43.11 C ATOM 900 CG LYS A 57 11.097 -8.492 17.434 1.00 71.30 C ATOM 901 CD LYS A 57 10.614 -7.525 18.504 1.00 14.43 C ATOM 902 CE LYS A 57 10.319 -8.243 19.814 1.00 11.33 C ATOM 903 NZ LYS A 57 9.710 -7.336 20.823 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.736 -10.623 17.595 1.00 33.31 H new ATOM 0 HA LYS A 57 11.912 -10.967 16.739 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.214 -9.633 18.858 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.176 -8.491 17.940 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.283 -7.948 16.508 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.315 -9.222 17.223 1.00 71.30 H new ATOM 0 HD2 LYS A 57 11.370 -6.758 18.671 1.00 14.43 H new ATOM 0 HD3 LYS A 57 9.715 -7.016 18.157 1.00 14.43 H new ATOM 0 HE2 LYS A 57 9.646 -9.079 19.625 1.00 11.33 H new ATOM 0 HE3 LYS A 57 11.243 -8.662 20.214 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.526 -7.865 21.699 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.363 -6.551 21.023 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 8.815 -6.956 20.453 1.00 52.31 H new ATOM 917 N CYS A 58 12.393 -9.811 14.574 1.00 72.13 N ATOM 918 CA CYS A 58 12.771 -9.375 13.239 1.00 62.31 C ATOM 919 C CYS A 58 12.692 -7.857 13.115 1.00 74.10 C ATOM 920 O CYS A 58 11.821 -7.216 13.713 1.00 14.35 O ATOM 921 CB CYS A 58 11.889 -10.047 12.187 1.00 65.03 C ATOM 922 SG CYS A 58 12.301 -9.588 10.474 1.00 34.12 S ATOM 0 H CYS A 58 11.431 -10.139 14.658 1.00 72.13 H new ATOM 0 HA CYS A 58 13.805 -9.673 13.066 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.974 -11.128 12.293 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.848 -9.789 12.381 1.00 65.03 H new ATOM 927 N LEU A 59 13.618 -7.293 12.351 1.00 20.31 N ATOM 928 CA LEU A 59 13.692 -5.853 12.150 1.00 35.20 C ATOM 929 C LEU A 59 13.089 -5.457 10.807 1.00 35.41 C ATOM 930 O LEU A 59 12.600 -6.305 10.062 1.00 75.32 O ATOM 931 CB LEU A 59 15.144 -5.380 12.228 1.00 75.13 C ATOM 932 CG LEU A 59 15.795 -5.490 13.607 1.00 73.02 C ATOM 933 CD1 LEU A 59 17.265 -5.106 13.535 1.00 24.20 C ATOM 934 CD2 LEU A 59 15.064 -4.608 14.605 1.00 11.24 C ATOM 0 H LEU A 59 14.337 -7.820 11.855 1.00 20.31 H new ATOM 0 HA LEU A 59 13.116 -5.373 12.941 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.736 -5.958 11.518 1.00 75.13 H new ATOM 0 HB3 LEU A 59 15.187 -4.340 11.906 1.00 75.13 H new ATOM 0 HG LEU A 59 15.727 -6.525 13.941 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.712 -5.190 14.526 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.782 -5.773 12.846 1.00 24.20 H new ATOM 0 HD13 LEU A 59 17.356 -4.079 13.182 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.537 -4.695 15.583 1.00 11.24 H new ATOM 0 HD22 LEU A 59 15.106 -3.571 14.273 1.00 11.24 H new ATOM 0 HD23 LEU A 59 14.023 -4.924 14.676 1.00 11.24 H new ATOM 946 N ALA A 60 13.120 -4.162 10.508 1.00 33.55 N ATOM 947 CA ALA A 60 12.577 -3.652 9.257 1.00 14.42 C ATOM 948 C ALA A 60 13.500 -4.001 8.097 1.00 34.01 C ATOM 949 O ALA A 60 13.093 -3.996 6.934 1.00 3.23 O ATOM 950 CB ALA A 60 12.371 -2.146 9.345 1.00 21.55 C ATOM 0 H ALA A 60 13.517 -3.447 11.117 1.00 33.55 H new ATOM 0 HA ALA A 60 11.610 -4.122 9.079 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.965 -1.779 8.403 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.675 -1.921 10.153 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.326 -1.659 9.543 1.00 21.55 H new ATOM 956 N ASN A 61 14.750 -4.284 8.431 1.00 62.21 N ATOM 957 CA ASN A 61 15.732 -4.734 7.458 1.00 25.33 C ATOM 958 C ASN A 61 15.900 -6.243 7.573 1.00 24.31 C ATOM 959 O ASN A 61 15.422 -6.846 8.533 1.00 33.40 O ATOM 960 CB ASN A 61 17.074 -4.019 7.672 1.00 32.31 C ATOM 961 CG ASN A 61 17.669 -4.253 9.051 1.00 74.35 C ATOM 962 OD1 ASN A 61 18.585 -5.204 9.154 1.00 1.31 O flip ATOM 963 ND2 ASN A 61 17.331 -3.560 10.012 1.00 4.55 N flip ATOM 0 H ASN A 61 15.111 -4.208 9.382 1.00 62.21 H new ATOM 0 HA ASN A 61 15.382 -4.489 6.455 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.783 -4.358 6.916 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.935 -2.948 7.521 1.00 32.31 H new ATOM 0 HD21 ASN A 61 16.622 -2.836 9.895 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.761 -3.710 10.925 1.00 4.55 H new ATOM 970 N GLY A 62 16.590 -6.845 6.613 1.00 21.23 N ATOM 971 CA GLY A 62 16.716 -8.292 6.582 1.00 43.34 C ATOM 972 C GLY A 62 17.715 -8.829 7.591 1.00 30.15 C ATOM 973 O GLY A 62 18.711 -9.456 7.219 1.00 74.22 O ATOM 0 H GLY A 62 17.066 -6.358 5.854 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.740 -8.739 6.774 1.00 43.34 H new ATOM 0 HA3 GLY A 62 17.018 -8.602 5.582 1.00 43.34 H new ATOM 977 N SER A 63 17.457 -8.573 8.865 1.00 32.44 N ATOM 978 CA SER A 63 18.294 -9.061 9.953 1.00 55.04 C ATOM 979 C SER A 63 17.500 -9.074 11.254 1.00 64.31 C ATOM 980 O SER A 63 16.659 -8.205 11.483 1.00 34.44 O ATOM 981 CB SER A 63 19.541 -8.181 10.118 1.00 2.41 C ATOM 982 OG SER A 63 20.316 -8.157 8.931 1.00 62.04 O ATOM 0 H SER A 63 16.659 -8.019 9.175 1.00 32.44 H new ATOM 0 HA SER A 63 18.613 -10.075 9.712 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.241 -7.166 10.379 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.147 -8.556 10.943 1.00 2.41 H new ATOM 0 HG SER A 63 20.046 -8.898 8.349 1.00 62.04 H new ATOM 988 N TRP A 64 17.758 -10.066 12.091 1.00 43.33 N ATOM 989 CA TRP A 64 17.102 -10.151 13.385 1.00 43.33 C ATOM 990 C TRP A 64 17.807 -9.232 14.383 1.00 14.23 C ATOM 991 O TRP A 64 18.947 -8.827 14.152 1.00 63.32 O ATOM 992 CB TRP A 64 17.085 -11.604 13.887 1.00 65.43 C ATOM 993 CG TRP A 64 16.273 -12.527 13.018 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.665 -13.107 11.843 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.934 -12.982 13.258 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.651 -13.885 11.339 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.580 -13.824 12.187 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.998 -12.757 14.273 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.335 -14.442 12.106 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.761 -13.371 14.189 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.441 -14.204 13.111 1.00 30.45 C ATOM 0 H TRP A 64 18.415 -10.822 11.898 1.00 43.33 H new ATOM 0 HA TRP A 64 16.067 -9.823 13.283 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.109 -11.974 13.940 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.685 -11.626 14.901 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.631 -12.973 11.379 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.691 -14.421 10.472 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.237 -12.115 15.108 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.085 -15.087 11.277 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.031 -13.205 14.967 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.467 -14.668 13.073 1.00 30.45 H new ATOM 1012 N THR A 65 17.127 -8.908 15.475 1.00 64.24 N ATOM 1013 CA THR A 65 17.621 -7.941 16.456 1.00 62.45 C ATOM 1014 C THR A 65 19.032 -8.257 16.957 1.00 71.12 C ATOM 1015 O THR A 65 19.846 -7.349 17.153 1.00 30.41 O ATOM 1016 CB THR A 65 16.662 -7.842 17.652 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.212 -9.151 18.035 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.467 -6.969 17.309 1.00 4.51 C ATOM 0 H THR A 65 16.217 -9.306 15.709 1.00 64.24 H new ATOM 0 HA THR A 65 17.668 -6.984 15.937 1.00 62.45 H new ATOM 0 HB THR A 65 17.199 -7.389 18.485 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.406 -9.071 18.587 1.00 14.20 H new ATOM 0 HG21 THR A 65 14.800 -6.911 18.169 1.00 4.51 H new ATOM 0 HG22 THR A 65 15.811 -5.968 17.049 1.00 4.51 H new ATOM 0 HG23 THR A 65 14.932 -7.400 16.463 1.00 4.51 H new ATOM 1026 N ASP A 66 19.325 -9.530 17.165 1.00 71.12 N ATOM 1027 CA ASP A 66 20.652 -9.936 17.613 1.00 34.33 C ATOM 1028 C ASP A 66 21.140 -11.116 16.799 1.00 13.42 C ATOM 1029 O ASP A 66 20.353 -11.995 16.453 1.00 3.12 O ATOM 1030 CB ASP A 66 20.635 -10.336 19.095 1.00 63.41 C ATOM 1031 CG ASP A 66 22.027 -10.537 19.654 1.00 40.15 C ATOM 1032 OD1 ASP A 66 22.537 -11.674 19.603 1.00 25.14 O ATOM 1033 OD2 ASP A 66 22.610 -9.551 20.154 1.00 24.04 O1- ATOM 0 H ASP A 66 18.668 -10.298 17.032 1.00 71.12 H new ATOM 0 HA ASP A 66 21.321 -9.086 17.478 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.123 -9.565 19.671 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.062 -11.256 19.214 1.00 63.41 H new ATOM 1038 N MET A 67 22.424 -11.127 16.464 1.00 22.12 N ATOM 1039 CA MET A 67 23.031 -12.330 15.920 1.00 54.13 C ATOM 1040 C MET A 67 24.469 -12.489 16.390 1.00 53.22 C ATOM 1041 O MET A 67 25.412 -12.124 15.685 1.00 32.02 O ATOM 1042 CB MET A 67 23.007 -12.319 14.385 1.00 11.22 C ATOM 1043 CG MET A 67 21.661 -12.661 13.770 1.00 72.34 C ATOM 1044 SD MET A 67 21.712 -12.666 11.968 1.00 2.02 S ATOM 1045 CE MET A 67 20.096 -13.331 11.591 1.00 10.45 C ATOM 0 H MET A 67 23.054 -10.330 16.558 1.00 22.12 H new ATOM 0 HA MET A 67 22.441 -13.171 16.284 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.310 -11.331 14.037 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.750 -13.028 14.018 1.00 11.22 H new ATOM 0 HG2 MET A 67 21.341 -13.641 14.125 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.916 -11.940 14.108 1.00 72.34 H new ATOM 0 HE1 MET A 67 20.201 -14.343 11.200 1.00 10.45 H new ATOM 0 HE2 MET A 67 19.491 -13.353 12.497 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.609 -12.703 10.845 1.00 10.45 H new ATOM 1055 N ASP A 68 24.612 -12.984 17.610 1.00 24.31 N ATOM 1056 CA ASP A 68 25.820 -13.667 18.062 1.00 2.01 C ATOM 1057 C ASP A 68 25.524 -14.335 19.388 1.00 63.14 C ATOM 1058 O ASP A 68 25.696 -13.731 20.447 1.00 55.15 O ATOM 1059 CB ASP A 68 27.025 -12.738 18.201 1.00 13.54 C ATOM 1060 CG ASP A 68 28.305 -13.531 18.394 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.833 -13.570 19.528 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.773 -14.151 17.413 1.00 51.53 O1- ATOM 0 H ASP A 68 23.886 -12.923 18.324 1.00 24.31 H new ATOM 0 HA ASP A 68 26.091 -14.401 17.303 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.111 -12.113 17.312 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.877 -12.069 19.048 1.00 13.54 H new ATOM 1067 N THR A 69 25.047 -15.562 19.348 1.00 35.52 N ATOM 1068 CA THR A 69 24.579 -16.204 20.560 1.00 74.33 C ATOM 1069 C THR A 69 24.635 -17.721 20.439 1.00 61.54 C ATOM 1070 O THR A 69 23.685 -18.356 19.979 1.00 13.04 O ATOM 1071 CB THR A 69 23.131 -15.779 20.878 1.00 11.41 C ATOM 1072 OG1 THR A 69 22.931 -14.403 20.528 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.806 -15.956 22.350 1.00 22.51 C ATOM 0 H THR A 69 24.973 -16.128 18.503 1.00 35.52 H new ATOM 0 HA THR A 69 25.239 -15.888 21.368 1.00 74.33 H new ATOM 0 HB THR A 69 22.471 -16.419 20.292 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.255 -14.010 21.119 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.778 -15.646 22.535 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.925 -17.004 22.625 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.482 -15.345 22.948 1.00 22.51 H new ATOM 1081 N PRO A 70 25.766 -18.317 20.825 1.00 34.41 N ATOM 1082 CA PRO A 70 25.901 -19.764 20.916 1.00 42.43 C ATOM 1083 C PRO A 70 25.158 -20.291 22.138 1.00 23.34 C ATOM 1084 O PRO A 70 25.713 -20.351 23.239 1.00 64.14 O ATOM 1085 CB PRO A 70 27.415 -19.996 21.054 1.00 61.51 C ATOM 1086 CG PRO A 70 28.055 -18.658 20.864 1.00 11.35 C ATOM 1087 CD PRO A 70 27.007 -17.634 21.192 1.00 41.03 C ATOM 0 HA PRO A 70 25.480 -20.281 20.054 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.659 -20.410 22.032 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.770 -20.708 20.309 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.923 -18.547 21.514 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.407 -18.538 19.839 1.00 11.35 H new ATOM 0 HD2 PRO A 70 27.023 -17.362 22.247 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.147 -16.715 20.623 1.00 41.03 H new ATOM 1095 N SER A 71 23.893 -20.630 21.946 1.00 21.45 N ATOM 1096 CA SER A 71 23.044 -21.060 23.044 1.00 53.41 C ATOM 1097 C SER A 71 23.484 -22.423 23.564 1.00 14.12 C ATOM 1098 O SER A 71 23.462 -23.417 22.836 1.00 73.30 O ATOM 1099 CB SER A 71 21.579 -21.094 22.596 1.00 41.55 C ATOM 1100 OG SER A 71 20.710 -21.347 23.687 1.00 70.34 O ATOM 0 H SER A 71 23.431 -20.615 21.037 1.00 21.45 H new ATOM 0 HA SER A 71 23.140 -20.343 23.860 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.316 -20.143 22.133 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.447 -21.865 21.837 1.00 41.55 H new ATOM 0 HG SER A 71 19.783 -21.361 23.370 1.00 70.34 H new ATOM 1106 N ARG A 72 23.907 -22.446 24.820 1.00 45.03 N ATOM 1107 CA ARG A 72 24.343 -23.674 25.468 1.00 4.44 C ATOM 1108 C ARG A 72 23.139 -24.490 25.926 1.00 75.30 C ATOM 1109 O ARG A 72 22.227 -23.958 26.566 1.00 23.40 O ATOM 1110 CB ARG A 72 25.238 -23.344 26.670 1.00 34.44 C ATOM 1111 CG ARG A 72 24.620 -22.331 27.626 1.00 12.31 C ATOM 1112 CD ARG A 72 25.434 -22.166 28.899 1.00 24.33 C ATOM 1113 NE ARG A 72 26.794 -21.689 28.648 1.00 52.22 N ATOM 1114 CZ ARG A 72 27.287 -20.564 29.168 1.00 64.42 C ATOM 1115 NH1 ARG A 72 26.493 -19.714 29.803 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 28.569 -20.258 29.017 1.00 31.31 N ATOM 0 H ARG A 72 23.957 -21.619 25.415 1.00 45.03 H new ATOM 0 HA ARG A 72 24.912 -24.263 24.749 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.454 -24.263 27.216 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.191 -22.957 26.309 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.535 -21.367 27.125 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.609 -22.647 27.883 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.925 -21.465 29.561 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.480 -23.122 29.421 1.00 24.33 H new ATOM 0 HE ARG A 72 27.397 -22.246 28.043 1.00 52.22 H new ATOM 0 HH11 ARG A 72 25.498 -19.918 29.897 1.00 45.44 H new ATOM 0 HH12 ARG A 72 26.877 -18.856 30.198 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.186 -20.885 28.500 1.00 31.31 H new ATOM 0 HH22 ARG A 72 28.938 -19.396 29.418 1.00 31.31 H new ATOM 1130 N CYS A 73 23.125 -25.772 25.595 1.00 4.41 N ATOM 1131 CA CYS A 73 22.037 -26.636 26.020 1.00 74.22 C ATOM 1132 C CYS A 73 22.260 -27.086 27.457 1.00 15.32 C ATOM 1133 O CYS A 73 23.024 -28.015 27.726 1.00 21.44 O ATOM 1134 CB CYS A 73 21.908 -27.849 25.095 1.00 72.10 C ATOM 1135 SG CYS A 73 21.525 -27.430 23.357 1.00 53.24 S ATOM 0 H CYS A 73 23.846 -26.232 25.040 1.00 4.41 H new ATOM 0 HA CYS A 73 21.107 -26.070 25.966 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.840 -28.414 25.124 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.126 -28.504 25.480 1.00 72.10 H new ATOM 1140 N VAL A 74 21.603 -26.392 28.373 1.00 70.53 N ATOM 1141 CA VAL A 74 21.655 -26.705 29.791 1.00 64.52 C ATOM 1142 C VAL A 74 20.250 -26.608 30.362 1.00 43.42 C ATOM 1143 O VAL A 74 19.630 -25.543 30.318 1.00 34.31 O ATOM 1144 CB VAL A 74 22.589 -25.745 30.570 1.00 54.13 C ATOM 1145 CG1 VAL A 74 22.635 -26.120 32.045 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.994 -25.742 29.981 1.00 43.31 C ATOM 0 H VAL A 74 21.014 -25.589 28.151 1.00 70.53 H new ATOM 0 HA VAL A 74 22.056 -27.713 29.900 1.00 64.52 H new ATOM 0 HB VAL A 74 22.182 -24.738 30.478 1.00 54.13 H new ATOM 0 HG11 VAL A 74 23.296 -25.434 32.574 1.00 11.41 H new ATOM 0 HG12 VAL A 74 21.632 -26.057 32.468 1.00 11.41 H new ATOM 0 HG13 VAL A 74 23.009 -27.138 32.150 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.625 -25.059 30.549 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.411 -26.748 30.030 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.952 -25.417 28.941 1.00 43.31 H new ATOM 1156 N ARG A 75 19.746 -27.719 30.866 1.00 64.45 N ATOM 1157 CA ARG A 75 18.386 -27.770 31.383 1.00 54.13 C ATOM 1158 C ARG A 75 18.301 -27.145 32.769 1.00 45.21 C ATOM 1159 O ARG A 75 17.217 -26.640 33.131 1.00 37.22 O ATOM 1160 CB ARG A 75 17.860 -29.216 31.385 1.00 55.34 C ATOM 1161 CG ARG A 75 18.891 -30.281 31.755 1.00 43.51 C ATOM 1162 CD ARG A 75 18.830 -30.680 33.223 1.00 51.22 C ATOM 1163 NE ARG A 75 19.381 -29.661 34.112 1.00 74.41 N ATOM 1164 CZ ARG A 75 19.831 -29.904 35.339 1.00 23.14 C ATOM 1165 NH1 ARG A 75 19.845 -31.144 35.817 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 20.285 -28.905 36.086 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.324 -27.145 33.482 1.00 37.22 O ATOM 0 H ARG A 75 20.256 -28.600 30.930 1.00 64.45 H new ATOM 0 HA ARG A 75 17.749 -27.183 30.722 1.00 54.13 H new ATOM 0 HB2 ARG A 75 17.026 -29.282 32.084 1.00 55.34 H new ATOM 0 HB3 ARG A 75 17.465 -29.444 30.395 1.00 55.34 H new ATOM 0 HG2 ARG A 75 18.731 -31.164 31.137 1.00 43.51 H new ATOM 0 HG3 ARG A 75 19.889 -29.908 31.526 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.793 -30.874 33.499 1.00 51.22 H new ATOM 0 HD3 ARG A 75 19.377 -31.612 33.364 1.00 51.22 H new ATOM 0 HE ARG A 75 19.423 -28.701 33.770 1.00 74.41 H new ATOM 0 HH11 ARG A 75 19.509 -31.916 35.241 1.00 33.54 H new ATOM 0 HH12 ARG A 75 20.192 -31.323 36.759 1.00 33.54 H new ATOM 0 HH21 ARG A 75 20.288 -27.954 35.718 1.00 4.05 H new ATOM 0 HH22 ARG A 75 20.631 -29.089 37.028 1.00 4.05 H new TER 1181 ARG A 75